null

SMILES: CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=RYCGMTHUSRZCGH-OZRJUUBCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303117   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50303117 ((2R)-tert-butyl 1-(3-(3-(1H-indazol-4-yl)-2-(pyrid...) Show SMILES CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:7.6,THB:22:20:14:16.17,(10.21,-19.41,;10,-20.93,;8.57,-21.52,;8.74,-20.04,;11.22,-21.88,;11.15,-23.42,;9.79,-24.13,;12.45,-24.24,;13.91,-23.75,;14.83,-24.99,;13.93,-26.25,;12.47,-25.79,;11.23,-26.71,;9.88,-25.96,;11.26,-28.24,;10.72,-29.71,;9.2,-30.39,;10.57,-30.36,;11.76,-29.49,;13.3,-30.34,;12.76,-31.81,;12.32,-30.62,;12.77,-33.35,;11.44,-34.12,;11.43,-35.67,;12.77,-36.44,;14.1,-35.67,;15.58,-36.14,;16.49,-34.89,;15.58,-33.64,;14.1,-34.12,;18.02,-34.89,;18.79,-36.22,;20.33,-36.22,;21.1,-34.89,;20.32,-33.55,;18.79,-33.56,;15.64,-37.68,;14.34,-38.5,;14.4,-40.05,;15.77,-40.76,;17.07,-39.94,;18.57,-40.35,;19.42,-39.06,;18.46,-37.85,;17.01,-38.39,)| Show InChI InChI=1S/C35H38N8O3/c1-35(2,3)46-33(44)29-8-5-17-41(29)34(45)42-23-9-10-24(42)19-22(18-23)28-13-16-37-32-30(25-6-4-7-27-26(25)20-38-39-27)31(40-43(28)32)21-11-14-36-15-12-21/h4,6-7,11-16,20,22-24,29H,5,8-10,17-19H2,1-3H3,(H,38,39)/t22?,23?,24?,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of B-Raf				Bioorg Med Chem Lett 19: 6957-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.058 BindingDB Entry DOI: 10.7270/Q2833S34
					More data for this Ligand-Target Pair