BDBM50026022 CHEMBL1081283

SMILES: [H][C@]12CN(c3ccc(cc3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3ccc(F)c(O)c3)[C@]([H])(CN1C)C2

InChI Key: InChIKey=YLZMRFLWQLYPJH-GOTSBHOMSA-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 = 50026022   

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))	BDBM50026022 (CHEMBL1081283) Show SMILES [H][C@]12CN(c3ccc(cc3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3ccc(F)c(O)c3)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C29H25FN6O/c1-34-16-23-15-22(34)17-35(23)21-5-2-18(3-6-21)25-10-13-32-29-27(20-4-7-24(30)26(37)14-20)28(33-36(25)29)19-8-11-31-12-9-19/h2-14,22-23,37H,15-17H2,1H3/t22-,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
					More data for this Ligand-Target Pair