Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50018624 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163795
(CHEMBL3798382)Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29) | PDB
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| PDB
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50154944
(CHEMBL3775535)Show SMILES CNC(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C20H19N5O/c1-21-20(26)15-7-8-18-17(10-15)19(24-23-18)9-13-3-5-14(6-4-13)16-11-22-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,23,24) | PDB
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| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50154943
(CHEMBL3775576)Show InChI InChI=1S/C18H17N5O/c1-19-18(24)12-4-5-15-14(9-12)16(22-21-15)8-11-3-6-17-13(7-11)10-20-23(17)2/h3-7,9-10H,8H2,1-2H3,(H,19,24)(H,21,22) | PDB
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| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50610457
(CHEMBL5281052)Show SMILES CNc1ncc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)c(N)n1 | PDB
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Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50248631
(CHEMBL4080906)Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
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Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50322535
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | PDB
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Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50610458
(CHEMBL5271114)Show SMILES FC(F)(F)c1cccc(NC(=O)NC2CCN(C2)c2ccc3nncn3n2)c1 | PDB
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Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50610459
(CHEMBL5270493)Show SMILES Cc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N2Cc3ccccc3C2)c1 | PDB
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Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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Ligand-Target Pair |
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50610459
(CHEMBL5270493)Show SMILES Cc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N2Cc3ccccc3C2)c1 | MMDB
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Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50459994
(CHEMBL4226806 | US11471446, Compound DBA-8)Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21) | PDB
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Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50610462
(CHEMBL5273868) | PDB
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| | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50257749
(6-bromo-N-propylquinazolin-4-amine | CHEMBL449571)Show InChI InChI=1S/C11H12BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h3-4,6-7H,2,5H2,1H3,(H,13,14,15) | PDB
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| | n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50154943
(CHEMBL3775576)Show InChI InChI=1S/C18H17N5O/c1-19-18(24)12-4-5-15-14(9-12)16(22-21-15)8-11-3-6-17-13(7-11)10-20-23(17)2/h3-7,9-10H,8H2,1-2H3,(H,19,24)(H,21,22) | MMDB
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| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50154944
(CHEMBL3775535)Show SMILES CNC(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C20H19N5O/c1-21-20(26)15-7-8-18-17(10-15)19(24-23-18)9-13-3-5-14(6-4-13)16-11-22-25(2)12-16/h3-8,10-12H,9H2,1-2H3,(H,21,26)(H,23,24) | MMDB
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Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50610461
(CHEMBL5270079)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCCCN1CCN(CC1)C(=O)Nc1cc(nn1-c1ccc(C)cc1)C(C)(C)C)C(C)(C)C | PDB
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Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50610460
(CHEMBL5279965) | PDB
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| n/a | n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50248629
(CHEMBL4076837 | US11471446, Compound DBA-9)Show SMILES CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ncnc4ccc(cc34)C#N)ccc2c1 Show InChI InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)23-6-5-21-14-19(2-4-22(21)16-23)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31) | PDB
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| | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
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