BDBM50303106 CHEMBL583894::ethyl 3-(3-(1H-indol-6-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

SMILES: CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc2cc[nH]c2c1

InChI Key: InChIKey=DHCJWESYOBZCJY-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 = 50303106   

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))	BDBM50303106 (CHEMBL583894 | ethyl 3-(3-(1H-indol-6-yl)-2-(pyrid...) Show SMILES CCOC(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc2cc[nH]c2c1 |THB:13:11:5:7.8| Show InChI InChI=1S/C29H28N6O2/c1-2-37-29(36)34-22-5-6-23(34)16-21(15-22)25-10-14-32-28-26(20-4-3-18-9-13-31-24(18)17-20)27(33-35(25)28)19-7-11-30-12-8-19/h3-4,7-14,17,21-23,31H,2,5-6,15-16H2,1H3	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	36	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
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