Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50007260 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 |
|---|
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507709
(CHEMBL4438236)Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C25H19ClF3N5O2/c1-13-2-3-14(22(35)33-15-4-5-18(26)17(11-15)25(27,28)29)10-19(13)34-23(36)24(7-8-24)20-16-6-9-30-21(16)32-12-31-20/h2-6,9-12H,7-8H2,1H3,(H,33,35)(H,34,36)(H,30,31,32) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507705
(CHEMBL4436132)Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C4(CC4)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H33F3N6O3/c1-19-3-4-21(15-25(19)40-30(43)31(10-11-31)27-23-7-12-36-28(23)38-18-37-27)29(42)39-22-5-6-26(24(16-22)32(33,34)35)44-17-20-8-13-41(2)14-9-20/h3-7,12,15-16,18,20H,8-11,13-14,17H2,1-2H3,(H,39,42)(H,40,43)(H,36,37,38) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50507704
(CHEMBL4586402)Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(NC(=O)C3(CC3)c3ncnc4[nH]ccc34)c2)cc1C(F)(F)F Show InChI InChI=1S/C31H31F3N6O3/c1-18-3-4-19(15-24(18)39-29(42)30(10-11-30)26-22-7-12-35-27(22)37-17-36-26)28(41)38-20-5-6-25(23(16-20)31(32,33)34)43-21-8-13-40(2)14-9-21/h3-7,12,15-17,21H,8-11,13-14H2,1-2H3,(H,38,41)(H,39,42)(H,35,36,37) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of cRAF (unknown origin) |
Eur J Med Chem 163: 243-255 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.033
BindingDB Entry DOI: 10.7270/Q24B34M5 |
More data for this
Ligand-Target Pair | |
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