BDBM50026028 CHEMBL1087001

SMILES: [H][C@]12CN(c3ccc(c(C)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1)C2

InChI Key: InChIKey=NHSOOSWIKATDPJ-GMAHTHKFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50026028   

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))	BDBM50026028 (CHEMBL1087001) Show SMILES [H][C@]12CN(c3ccc(c(C)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc(O)c3)[C@]([H])(CN1)C2 |r| Show InChI InChI=1S/C29H26N6O/c1-18-13-22(34-17-21-15-23(34)16-32-21)5-6-25(18)26-9-12-31-29-27(20-3-2-4-24(36)14-20)28(33-35(26)29)19-7-10-30-11-8-19/h2-14,21,23,32,36H,15-17H2,1H3/t21-,23-/m0/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	<0.320	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation				Bioorg Med Chem Lett 19: 6571-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.030 BindingDB Entry DOI: 10.7270/Q29Z9510
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