BDBM50330915 9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-3,7-dioxa-9-azabicyclo[3.3.1]nonane::CHEMBL1276192

SMILES: Fc1cc(CN2C3COCC2COC3)ccc1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=GXFJFRRQODZUEM-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 = 50330915   

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))	BDBM50330915 (9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo...) Show SMILES Fc1cc(CN2C3COCC2COC3)ccc1-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |(13.8,-22.79,;15.13,-22.01,;15.12,-20.47,;16.4,-19.69,;16.45,-18.15,;17.8,-17.42,;18.65,-16.43,;18.72,-14.73,;20.2,-14.56,;19.38,-15.46,;19.29,-17.23,;21.11,-17.39,;21.5,-15.89,;20.4,-16.61,;17.79,-20.46,;17.8,-22,;16.46,-22.77,;16.47,-24.31,;15.14,-25.08,;15.14,-26.62,;16.47,-27.39,;17.81,-26.62,;19.28,-27.1,;20.19,-25.84,;19.28,-24.59,;17.81,-25.07,;21.73,-25.84,;22.5,-27.18,;24.04,-27.18,;24.81,-25.84,;24.03,-24.5,;22.5,-24.51,;19.76,-28.56,;21.26,-28.88,;21.74,-30.34,;20.71,-31.49,;19.2,-31.17,;17.95,-32.07,;16.71,-31.16,;17.2,-29.7,;18.73,-29.71,)| Show InChI InChI=1S/C31H26FN7O2/c32-26-12-19(14-38-21-15-40-17-22(38)18-41-16-21)4-5-24(26)28-8-11-34-31-29(23-2-1-3-27-25(23)13-35-36-27)30(37-39(28)31)20-6-9-33-10-7-20/h1-13,21-22H,14-18H2,(H,35,36)	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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BRAF				J Med Chem 53: 7874-8 (2010) Article DOI: 10.1021/jm1007566 BindingDB Entry DOI: 10.7270/Q2HM58Q3
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