BDBM50303118 7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine::CHEMBL570422

SMILES: CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=UXIJYJCRXZYOGV-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 = 50303118   

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))	BDBM50303118 (7-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1H-in...) Show SMILES CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:10:8:2:4.5,(30.67,-24,;29.35,-24.8,;29.38,-26.34,;28.85,-27.8,;27.32,-28.48,;28.7,-28.45,;29.89,-27.59,;31.43,-28.43,;30.88,-29.9,;30.44,-28.71,;30.89,-31.44,;29.56,-32.21,;29.56,-33.76,;30.89,-34.53,;32.22,-33.76,;33.7,-34.23,;34.61,-32.98,;33.7,-31.73,;32.22,-32.21,;36.14,-32.98,;36.91,-34.31,;38.45,-34.31,;39.22,-32.98,;38.44,-31.64,;36.9,-31.65,;33.76,-35.77,;32.47,-36.59,;32.52,-38.13,;33.89,-38.85,;35.2,-38.03,;36.69,-38.44,;37.54,-37.15,;36.58,-35.93,;35.13,-36.48,)| Show InChI InChI=1S/C27H27N7/c1-2-33-19-6-7-20(33)15-18(14-19)24-10-13-29-27-25(21-4-3-5-23-22(21)16-30-31-23)26(32-34(24)27)17-8-11-28-12-9-17/h3-5,8-13,16,18-20H,2,6-7,14-15H2,1H3,(H,30,31)	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	46.6	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