BDBM50330921 (1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane::CHEMBL1276188

SMILES: CN1C[C@@H]2CC[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=AULMPUHJUBFVEB-VXKWHMMOSA-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 = 50330921   

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))	BDBM50330921 ((1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)...) Show SMILES CN1C[C@@H]2CC[C@H]1CN2c1ccc(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wD:6.6,3.9,(4.83,5.26,;4.84,3.71,;3.5,2.93,;3.51,1.39,;4.27,2.73,;5.07,1.86,;6.17,2.95,;6.18,1.41,;4.85,.63,;4.85,-.9,;6.19,-1.67,;6.2,-3.21,;4.86,-3.98,;3.53,-3.22,;2.2,-4,;3.52,-1.68,;4.87,-5.52,;3.54,-6.29,;3.54,-7.84,;4.87,-8.61,;6.21,-7.84,;7.68,-8.31,;8.59,-7.06,;7.68,-5.8,;6.21,-6.28,;10.13,-7.06,;10.9,-8.39,;12.44,-8.39,;13.22,-7.06,;12.44,-5.72,;10.9,-5.72,;8.16,-9.78,;9.66,-10.09,;10.14,-11.55,;9.11,-12.71,;7.6,-12.39,;6.35,-13.29,;5.12,-12.38,;5.6,-10.92,;7.13,-10.93,)| Show InChI InChI=1S/C31H27FN8/c1-38-17-22-6-5-21(38)18-39(22)20-7-8-24(26(32)15-20)28-11-14-34-31-29(23-3-2-4-27-25(23)16-35-36-27)30(37-40(28)31)19-9-12-33-13-10-19/h2-4,7-16,21-22H,5-6,17-18H2,1H3,(H,35,36)/t21-,22-/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	0.410	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
					More data for this Ligand-Target Pair