Found 3 hits of Enzyme Inhibition Constant Data 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 |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50386475
(CHEMBL2047879)Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F Show InChI InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type B-raf in presence of 1 mM ATP |
J Med Chem 55: 2869-81 (2012)
Article DOI: 10.1021/jm300016v
BindingDB Entry DOI: 10.7270/Q2XP7601 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50386475
(CHEMBL2047879)Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F Show InChI InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of wild type C-raf in presence of 1 mM ATP |
J Med Chem 55: 2869-81 (2012)
Article DOI: 10.1021/jm300016v
BindingDB Entry DOI: 10.7270/Q2XP7601 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50386475
(CHEMBL2047879)Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F Show InChI InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 2869-81 (2012)
Article DOI: 10.1021/jm300016v
BindingDB Entry DOI: 10.7270/Q2XP7601 |
More data for this
Ligand-Target Pair | |
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