BDBM50303101 4-(7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)-2-hydroxybenzonitrile::CHEMBL570872

SMILES: CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(C#N)c(O)c1

InChI Key: InChIKey=GKXHNUKICSBSSP-UHFFFAOYSA-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 = 50303101   

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))	BDBM50303101 (4-(7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(py...) Show SMILES CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(C#N)c(O)c1 |THB:10:8:2:4.5| Show InChI InChI=1S/C27H26N6O/c1-2-32-21-5-6-22(32)14-20(13-21)23-9-12-30-27-25(18-3-4-19(16-28)24(34)15-18)26(31-33(23)27)17-7-10-29-11-8-17/h3-4,7-12,15,20-22,34H,2,5-6,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57.9	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