BDBM50303116 2-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethanol::CHEMBL570443

SMILES: OCCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=OTXSLTBIOFQJDD-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 = 50303116   

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))	BDBM50303116 (2-(3-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dih...) Show SMILES OCCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:11:9:3:5.6,(-4.35,-23.89,;-5.7,-23.15,;-7.02,-23.94,;-6.99,-25.48,;-7.53,-26.95,;-9.05,-27.63,;-7.68,-27.59,;-6.48,-26.73,;-4.95,-27.58,;-5.49,-29.05,;-5.93,-27.86,;-5.48,-30.59,;-6.81,-31.36,;-6.81,-32.9,;-5.48,-33.67,;-4.15,-32.9,;-2.67,-33.38,;-1.76,-32.13,;-2.68,-30.87,;-4.15,-31.35,;-.23,-32.12,;.54,-33.46,;2.08,-33.46,;2.85,-32.12,;2.07,-30.79,;.53,-30.79,;-2.61,-34.91,;-3.91,-35.73,;-3.85,-37.28,;-2.49,-37.99,;-1.18,-37.17,;.32,-37.58,;1.17,-36.29,;.21,-35.08,;-1.25,-35.62,)| Show InChI InChI=1S/C27H27N7O/c35-13-12-33-19-4-5-20(33)15-18(14-19)24-8-11-29-27-25(21-2-1-3-23-22(21)16-30-31-23)26(32-34(24)27)17-6-9-28-10-7-17/h1-3,6-11,16,18-20,35H,4-5,12-15H2,(H,30,31)	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	22.8	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