Compounds,name,SMILES,dTm CLK1 wild type (°C),dTm V324A CLK1 (°C),dTm CLK3 wild type (°C),dTm A319V CLK3 (°C),dTm CLK2 (°C),dTm CLK4 (°C),"Ki (omnia assay A319V CLK3, µM)","Ki (omnia assay CLK3 wild type, µM)","Ki (NanoBRET CLK1 wild type, µM)","Ki (NanoBRET V324A CLK1, µM)","ITC Kd, CLK1 wild type (µM)","ITC Kd, CLK3 wild type  (µM)"
1,K00135,N(C(=C1)C(=CC2C(=O)C)C=CC=2)(N=C2NCC(C3)C3)C(=N1)C=C2,7.2,4.9,1.4,5.8,,,,,0.229 ± 0.10,0.512 ± 0.10,,
2,Tg003,O=C(C)/C=C1SC2=CC=C(OC)C=C2N\1CC,7.1,3.6,1.1,5.8,6.5,9.6,5.2 ± 2.0,0.32 ± 0.05,0.21 ± 0.12,0.671 ± 0.23,0.075 ± 0.04,7.78 ± 0.90
3,KH-CARB13,[Cl-].CN1C2C(C(C#N)C3(CC[NH2+]CC3)NC2=O)c4ccc(Cl)c(Cl)c14,7.4,2.8,1.2,5.8,3.5,9.2,26.9 ± 11.00,0.85 ± 0.30,0.136 ± 0.09 2.81 ± 0.67,,,
4,K00972,C(C(C=CC1C(=NC(=NC2)N)C=2)=N2)(C=1)=C(O2)C(=CC=C(C1)[Cl])C=1,5.7,2.4,0.1,0.6,,,,,,,,
5,MU1210,Cn1cc(cn1)c2ccc3occ(c4cccc(c4)c5ccncc5)c3n2 ,9.3,5.94,1.5,8.27,,,,,,,,
6,staurosporine,CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,13.4,11.8,4.7,8.1,,,,,0.009 ± 0.002,0.006 ± 0.002,,
7,KH-CB19,C(=C1C=C2)(C(=C2[Cl])[Cl])N(C(=C1C(C#N)=CN)C(OCC)=O)C,15,7.5,8.6,11,,,,,0.018 ± 0.008,0.166 ± 0.031,,
8,GW807982X,CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cc(OC)cc(c4)C(F)(F)F)n3,9,2.5,2,5.5,8.4,9,,,0.036 ± 0.02,3.93 ± 1.1,,
9,K00518,N(C(=C1)C(=CC2C(=O)C)C=CC=2)(N=C2NC(C(C)C)CO)C(=N1)C=C2,6.8,3.9,1.8,8.6,,,,,0.943 ± 0.64,2.64 ± 1.80,,
10,T3-CLK,CN1CCN(C(C(C)(C)C2=CC=C(C(NC3=CN(C=C(C4=CC=NC=C4)C=C5)C5=N3)=O)C=C2)=O)CC1,18.7,13.7,13.7,17.3,,,,,0.001 ± 0.0001,0.0023 ± 0.0001,,
11,KuWal151,Clc1cccc(c1)c2c[nH]c3c4C(=O)NCc4ccc23,9.4,5.1,1.7,4.7,4.9,10.1,,,0.228 ± 0.08,0.878 ± 0.046,,
12,FC162,O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5,9.5,3,3.6,5.5,,,,,1.86 ± 1.2,5.45 ± 0.79,,
13,ETH1610,COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1,10.3,3.8,3.4,9.2,7,9.6,,,,,,
14,VN412,Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2,12.3,7.8,4.8,10.1,8.3,,,,,,,
15,GW779439X,CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4)C(F)(F)F,15,9.8,5.7,10.2,12,14.3,,,,,,
16,KH-CARB10,CN1CCC2(CC1)NC(=O)C3C(C2C#N)c4ccc(Cl)c(Cl)c4N3C,6.1,1.8,1.1,5,,,,,,,,
17,KH-CARB11,CCN1CCC2(CC1)NC(=O)C3C(C2C#N)c4ccc(Cl)c(Cl)c4N3C,4.8,1,0.6,3.8,,,,,,,,
18,iodotubercidin,C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)I,13.1,9.7,7.9,14.1,,,,,,,,