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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50330914'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50330914
PNG
(3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-dia...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(c(nn23)-c2ccncc2)-c2cccc3[nH]ncc23)c2ccccc12 |r,wU:3.3,5.4,(15.66,4.33,;15.67,2.79,;14.34,2,;14.34,.46,;15.43,1.56,;17.01,2.02,;17.01,.48,;15.68,-.3,;15.69,-1.83,;17.03,-2.6,;17.03,-4.14,;15.69,-4.91,;15.7,-6.45,;14.37,-7.22,;14.38,-8.76,;15.71,-9.54,;17.04,-8.76,;18.52,-9.24,;19.43,-7.99,;18.52,-6.73,;17.04,-7.21,;20.97,-7.98,;21.74,-9.32,;23.28,-9.32,;24.05,-7.98,;23.27,-6.65,;21.73,-6.65,;18.99,-10.7,;20.5,-11.02,;20.98,-12.48,;19.94,-13.64,;18.43,-13.32,;17.19,-14.21,;15.95,-13.3,;16.43,-11.85,;17.97,-11.85,;14.37,-4.15,;13.06,-4.93,;11.72,-4.19,;11.69,-2.65,;13.01,-1.87,;14.35,-2.61,)|
Show InChI InChI=1S/C34H28N8/c1-40-19-23-17-22(40)20-41(23)30-10-9-26(24-5-2-3-6-25(24)30)31-13-16-36-34-32(27-7-4-8-29-28(27)18-37-38-29)33(39-42(31)34)21-11-14-35-15-12-21/h2-16,18,22-23H,17,19-20H2,1H3,(H,37,38)/t22-,23-/m0/s1
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MMDB

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Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRAF

J Med Chem 53: 7874-8 (2010)


Article DOI: 10.1021/jm1007566
BindingDB Entry DOI: 10.7270/Q2HM58Q3
More data for this
Ligand-Target Pair