Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50007907 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 |
|---|
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513881
(CHEMBL4524151)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H14ClF2N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513878
(CHEMBL4542865)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Br)c2)c1F Show InChI InChI=1S/C21H14BrF2N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513870
(CHEMBL4526537)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(OC)c2)c1F Show InChI InChI=1S/C22H17F2N7O4S/c1-34-13-4-3-5-14(9-13)36(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)12-8-15-21(25-10-12)27-28-22(15)35-2/h3-11,29H,1-2H3,(H,25,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513879
(CHEMBL4574656)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-15-8-12(10-24-20(15)26-27-21)17-11-30(29-25-17)18-7-3-6-16(19(18)23)28-34(31,32)14-5-2-4-13(22)9-14/h2-11,28H,1H3,(H,24,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513877
(CHEMBL4579609)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H14F2N8O3S/c1-35-22-15-8-13(10-26-21(15)28-29-22)18-11-32(31-27-18)20-16(23)5-6-17(19(20)24)30-36(33,34)14-4-2-3-12(7-14)9-25/h2-8,10-11,30H,1H3,(H,26,28,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513865
(CHEMBL4446003)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F Show InChI InChI=1S/C21H15F2N7O3S/c1-33-21-14-9-12(10-24-20(14)26-27-21)17-11-30(29-25-17)19-15(22)7-8-16(18(19)23)28-34(31,32)13-5-3-2-4-6-13/h2-11,28H,1H3,(H,24,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513866
(CHEMBL4450810)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513884
(CHEMBL4468296)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc3ccccc23)c1F Show InChI InChI=1S/C25H17F2N7O3S/c1-37-25-17-11-15(12-28-24(17)30-31-25)20-13-34(33-29-20)23-18(26)9-10-19(22(23)27)32-38(35,36)21-8-4-6-14-5-2-3-7-16(14)21/h2-13,32H,1H3,(H,28,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513885
(CHEMBL4454493)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(C)c2)c1F Show InChI InChI=1S/C22H17F2N7O3S/c1-12-4-3-5-14(8-12)35(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)13-9-15-21(25-10-13)27-28-22(15)34-2/h3-11,29H,1-2H3,(H,25,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513867
(CHEMBL4448690)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2ccc3ccccc3c2)c1F Show InChI InChI=1S/C25H17F2N7O3S/c1-37-25-18-11-16(12-28-24(18)30-31-25)21-13-34(33-29-21)23-19(26)8-9-20(22(23)27)32-38(35,36)17-7-6-14-4-2-3-5-15(14)10-17/h2-13,32H,1H3,(H,28,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513873
(CHEMBL4457930)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-16-7-12(10-24-20(16)26-27-21)18-11-30(29-25-18)19-9-14(5-6-17(19)23)28-34(31,32)15-4-2-3-13(22)8-15/h2-11,28H,1H3,(H,24,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513869
(CHEMBL4449013)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C(C)C)c1F Show InChI InChI=1S/C24H21F2N7O3S/c1-13(2)14-5-4-6-16(9-14)37(34,35)31-19-8-7-18(25)22(21(19)26)33-12-20(28-32-33)15-10-17-23(27-11-15)29-30-24(17)36-3/h4-13,31H,1-3H3,(H,27,29,30) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513880
(CHEMBL4559022)Show SMILES Nc1ncc(cn1)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C18H12ClF2N7O2S/c19-11-2-1-3-12(6-11)31(29,30)26-14-5-4-13(20)17(16(14)21)28-9-15(25-27-28)10-7-23-18(22)24-8-10/h1-9,26H,(H2,22,23,24) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513882
(CHEMBL4523007)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C22H14ClF2N7O2/c1-34-22-14-8-12(9-26-20(14)29-30-22)17-10-32(31-28-17)19-15(24)5-6-16(18(19)25)27-21(33)11-3-2-4-13(23)7-11/h2-10H,1H3,(H,27,33)(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50268018
(CHEMBL4096439)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513874
(CHEMBL4476053)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H16ClN7O3S/c1-32-21-18-8-13(11-23-20(18)25-26-21)19-12-29(28-24-19)16-6-3-5-15(10-16)27-33(30,31)17-7-2-4-14(22)9-17/h2-12,27H,1H3,(H,23,25,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513868
(CHEMBL4473008)Show SMILES COc1n[nH]c2ncc(cc12)-c1nc(no1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N6O4S/c1-33-21-13-7-10(9-25-18(13)27-28-21)20-26-19(29-34-20)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513865
(CHEMBL4446003)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F Show InChI InChI=1S/C21H15F2N7O3S/c1-33-21-14-9-12(10-24-20(14)26-27-21)17-11-30(29-25-17)19-15(22)7-8-16(18(19)23)28-34(31,32)13-5-3-2-4-6-13/h2-11,28H,1H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513875
(CHEMBL4457468)Show SMILES Nc1ccc(cn1)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C19H13ClF2N6O2S/c20-12-2-1-3-13(8-12)31(29,30)26-15-6-5-14(21)19(18(15)22)28-10-16(25-27-28)11-4-7-17(23)24-9-11/h1-10,26H,(H2,23,24) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513871
(CHEMBL4532800)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)Nc2cccc(Cl)c2)c1F Show InChI InChI=1S/C22H15ClF2N8O2/c1-35-21-14-7-11(9-26-20(14)30-31-21)17-10-33(32-29-17)19-15(24)5-6-16(18(19)25)28-22(34)27-13-4-2-3-12(23)8-13/h2-10H,1H3,(H,26,30,31)(H2,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513871
(CHEMBL4532800)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)Nc2cccc(Cl)c2)c1F Show InChI InChI=1S/C22H15ClF2N8O2/c1-35-21-14-7-11(9-26-20(14)30-31-21)17-10-33(32-29-17)19-15(24)5-6-16(18(19)25)28-22(34)27-13-4-2-3-12(23)8-13/h2-10H,1H3,(H,26,30,31)(H2,27,28,34) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513882
(CHEMBL4523007)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C22H14ClF2N7O2/c1-34-22-14-8-12(9-26-20(14)29-30-22)17-10-32(31-28-17)19-15(24)5-6-16(18(19)25)27-21(33)11-3-2-4-13(23)7-11/h2-10H,1H3,(H,27,33)(H,26,29,30) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513883
(CHEMBL4452568)Show SMILES COc1n[nH]c2ncc(cc12)-c1nnc(o1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N6O4S/c1-33-20-13-7-10(9-25-18(13)26-28-20)19-27-29-21(34-19)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,26,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513872
(CHEMBL4444385)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)Cc2cccc(Cl)c2)c1F Show InChI InChI=1S/C23H16ClF2N7O2/c1-35-23-15-9-13(10-27-22(15)30-31-23)18-11-33(32-29-18)21-16(25)5-6-17(20(21)26)28-19(34)8-12-3-2-4-14(24)7-12/h2-7,9-11H,8H2,1H3,(H,28,34)(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513872
(CHEMBL4444385)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NC(=O)Cc2cccc(Cl)c2)c1F Show InChI InChI=1S/C23H16ClF2N7O2/c1-35-23-15-9-13(10-27-22(15)30-31-23)18-11-33(32-29-18)21-16(25)5-6-17(20(21)26)28-19(34)8-12-3-2-4-14(24)7-12/h2-7,9-11H,8H2,1H3,(H,28,34)(H,27,30,31) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513884
(CHEMBL4468296)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc3ccccc23)c1F Show InChI InChI=1S/C25H17F2N7O3S/c1-37-25-17-11-15(12-28-24(17)30-31-25)20-13-34(33-29-20)23-18(26)9-10-19(22(23)27)32-38(35,36)21-8-4-6-14-5-2-3-7-16(14)21/h2-13,32H,1H3,(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50513866
(CHEMBL4450810)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of human ABL1 |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513869
(CHEMBL4449013)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C(C)C)c1F Show InChI InChI=1S/C24H21F2N7O3S/c1-13(2)14-5-4-6-16(9-14)37(34,35)31-19-8-7-18(25)22(21(19)26)33-12-20(28-32-33)15-10-17-23(27-11-15)29-30-24(17)36-3/h4-13,31H,1-3H3,(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513881
(CHEMBL4524151)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H14ClF2N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513878
(CHEMBL4542865)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Br)c2)c1F Show InChI InChI=1S/C21H14BrF2N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513870
(CHEMBL4526537)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(OC)c2)c1F Show InChI InChI=1S/C22H17F2N7O4S/c1-34-13-4-3-5-14(9-13)36(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)12-8-15-21(25-10-12)27-28-22(15)35-2/h3-11,29H,1-2H3,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513873
(CHEMBL4457930)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-16-7-12(10-24-20(16)26-27-21)18-11-30(29-25-18)19-9-14(5-6-17(19)23)28-34(31,32)15-4-2-3-13(22)8-15/h2-11,28H,1H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513864
(CHEMBL4582776)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(Cl)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1Cl Show InChI InChI=1S/C21H14Cl3N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 413 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513864
(CHEMBL4582776)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(Cl)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1Cl Show InChI InChI=1S/C21H14Cl3N7O3S/c1-34-21-14-7-11(9-25-20(14)27-28-21)17-10-31(30-26-17)19-15(23)5-6-16(18(19)24)29-35(32,33)13-4-2-3-12(22)8-13/h2-10,29H,1H3,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 436 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513885
(CHEMBL4454493)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(C)c2)c1F Show InChI InChI=1S/C22H17F2N7O3S/c1-12-4-3-5-14(8-12)35(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)13-9-15-21(25-10-13)27-28-22(15)34-2/h3-11,29H,1-2H3,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513877
(CHEMBL4579609)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H14F2N8O3S/c1-35-22-15-8-13(10-26-21(15)28-29-22)18-11-32(31-27-18)20-16(23)5-6-17(19(20)24)30-36(33,34)14-4-2-3-12(7-14)9-25/h2-8,10-11,30H,1H3,(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513879
(CHEMBL4574656)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-15-8-12(10-24-20(15)26-27-21)17-11-30(29-25-17)18-7-3-6-16(19(18)23)28-34(31,32)14-5-2-4-13(22)9-14/h2-11,28H,1H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 795 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513867
(CHEMBL4448690)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2ccc3ccccc3c2)c1F Show InChI InChI=1S/C25H17F2N7O3S/c1-37-25-18-11-16(12-28-24(18)30-31-25)21-13-34(33-29-21)23-19(26)8-9-20(22(23)27)32-38(35,36)17-7-6-14-4-2-3-5-15(14)10-17/h2-13,32H,1H3,(H,28,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human)) | BDBM50513876
(CHEMBL4459658)Show SMILES COc1n[nH]c2ncc(cc12)-c1ncc([nH]1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C22H15ClF2N6O3S/c1-34-22-14-7-11(9-26-21(14)29-30-22)20-27-10-17(28-20)18-15(24)5-6-16(19(18)25)31-35(32,33)13-4-2-3-12(23)8-13/h2-10,31H,1H3,(H,27,28)(H,26,29,30) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 983 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after... |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513866
(CHEMBL4450810)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513874
(CHEMBL4476053)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H16ClN7O3S/c1-32-21-18-8-13(11-23-20(18)25-26-21)19-12-29(28-24-19)16-6-3-5-15(10-16)27-33(30,31)17-7-2-4-14(22)9-17/h2-12,27H,1H3,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513875
(CHEMBL4457468)Show SMILES Nc1ccc(cn1)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C19H13ClF2N6O2S/c20-12-2-1-3-13(8-12)31(29,30)26-15-6-5-14(21)19(18(15)22)28-10-16(25-27-28)11-4-7-17(23)24-9-11/h1-10,26H,(H2,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513876
(CHEMBL4459658)Show SMILES COc1n[nH]c2ncc(cc12)-c1ncc([nH]1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C22H15ClF2N6O3S/c1-34-22-14-7-11(9-26-21(14)29-30-22)20-27-10-17(28-20)18-15(24)5-6-16(19(18)25)31-35(32,33)13-4-2-3-12(23)8-13/h2-10,31H,1H3,(H,27,28)(H,26,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513868
(CHEMBL4473008)Show SMILES COc1n[nH]c2ncc(cc12)-c1nc(no1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N6O4S/c1-33-21-13-7-10(9-25-18(13)27-28-21)20-26-19(29-34-20)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50268018
(CHEMBL4096439)Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513883
(CHEMBL4452568)Show SMILES COc1n[nH]c2ncc(cc12)-c1nnc(o1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N6O4S/c1-33-20-13-7-10(9-25-18(13)26-28-20)19-27-29-21(34-19)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50513880
(CHEMBL4559022)Show SMILES Nc1ncc(cn1)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C18H12ClF2N7O2S/c19-11-2-1-3-12(6-11)31(29,30)26-14-5-4-13(20)17(16(14)21)28-9-15(25-27-28)10-7-23-18(22)24-8-10/h1-9,26H,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50513866
(CHEMBL4450810)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Binding affinity to human RIPK2 |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50513866
(CHEMBL4450810)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Binding affinity to human FLT3 F691L mutant |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50513866
(CHEMBL4450810)Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F Show InChI InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Jinan University
Curated by ChEMBL
| Assay Description
Binding affinity to human ABL1 |
J Med Chem 63: 2114-2130 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00664
BindingDB Entry DOI: 10.7270/Q2JD514T |
More data for this
Ligand-Target Pair | |
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