BDBM50303112 3-(1H-indazol-4-yl)-7-(8-(methylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine::CHEMBL570453

SMILES: CS(=O)(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=DITZXIXKRKPYIO-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 = 50303112   

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))	BDBM50303112 (3-(1H-indazol-4-yl)-7-(8-(methylsulfonyl)-8-azabic...) Show SMILES CS(=O)(=O)N1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |THB:12:10:4:6.7,(-3.77,1.28,;-5.1,.49,;-6.44,-.27,;-6.43,1.27,;-5.06,-1.05,;-5.6,-2.52,;-7.12,-3.2,;-5.75,-3.16,;-4.56,-2.3,;-3.02,-3.14,;-3.56,-4.62,;-4,-3.43,;-3.56,-6.16,;-4.88,-6.93,;-4.89,-8.47,;-3.55,-9.24,;-2.22,-8.47,;-.75,-8.94,;.16,-7.69,;-.75,-6.44,;-2.22,-6.92,;1.7,-7.69,;2.47,-9.03,;4,-9.03,;4.77,-7.69,;4,-6.35,;2.46,-6.36,;-.68,-10.48,;-1.98,-11.3,;-1.92,-12.84,;-.56,-13.56,;.75,-12.74,;2.25,-13.15,;3.1,-11.86,;2.13,-10.65,;.68,-11.19,)| Show InChI InChI=1S/C26H25N7O2S/c1-36(34,35)33-18-5-6-19(33)14-17(13-18)23-9-12-28-26-24(20-3-2-4-22-21(20)15-29-30-22)25(31-32(23)26)16-7-10-27-11-8-16/h2-4,7-12,15,17-19H,5-6,13-14H2,1H3,(H,29,30)	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	4.90	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