BDBM50311983 (R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol::CHEMBL1086871

SMILES: Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(N[C@H]2CN3CCC2CC3)cc1)-c1ccncc1

InChI Key: InChIKey=GMJUHMVIMKBELC-SANMLTNESA-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 = 50311983   

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))	BDBM50311983 ((R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamin...) Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(N[C@H]2CN3CCC2CC3)cc1)-c1ccncc1 |r,wU:21.23,(27.09,-49.36,;27.87,-48.04,;29.41,-48.05,;30.19,-46.72,;29.43,-45.38,;27.9,-45.37,;27.11,-46.7,;27.16,-44.03,;28.07,-42.79,;27.17,-41.54,;25.71,-42,;24.37,-41.24,;23.04,-42,;23.03,-43.54,;24.36,-44.31,;25.7,-43.54,;24.37,-39.7,;23.04,-38.93,;23.05,-37.39,;24.37,-36.62,;24.39,-35.08,;25.74,-34.33,;25.77,-32.78,;27.12,-32.02,;28.45,-32.82,;28.42,-34.36,;27.07,-35.12,;27.58,-33.8,;26.3,-33.23,;25.71,-37.38,;25.72,-38.93,;29.61,-42.8,;30.37,-44.14,;31.91,-44.15,;32.69,-42.82,;31.92,-41.48,;30.38,-41.47,)| Show InChI InChI=1S/C30H28N6O/c37-25-3-1-2-23(18-25)28-29(22-8-13-31-14-9-22)34-36-27(10-15-32-30(28)36)21-4-6-24(7-5-21)33-26-19-35-16-11-20(26)12-17-35/h1-10,13-15,18,20,26,33,37H,11-12,16-17,19H2/t26-/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	1	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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