BDBM50330917 7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine::CHEMBL1276177

SMILES: CN1C[C@@H]2C[C@H]1CN2c1ccc(c(F)c1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12

InChI Key: InChIKey=XXUPDWIGWMMESL-OALUTQOASA-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 = 50330917   

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))	BDBM50330917 (7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyc...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(F)c1F)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(1.07,-33.28,;1.07,-34.82,;-.26,-35.61,;-.25,-37.15,;.83,-36.05,;2.41,-35.59,;2.42,-37.13,;1.08,-37.91,;1.09,-39.44,;2.43,-40.21,;2.44,-41.75,;1.1,-42.52,;-.23,-41.76,;-1.56,-42.54,;-.24,-40.22,;-1.58,-39.46,;1.11,-44.06,;-.22,-44.83,;-.22,-46.37,;1.11,-47.14,;2.45,-46.37,;3.92,-46.85,;4.83,-45.6,;3.92,-44.34,;2.45,-44.82,;6.37,-45.59,;7.14,-46.93,;8.68,-46.93,;9.45,-45.59,;8.67,-44.25,;7.14,-44.26,;4.4,-48.31,;5.9,-48.63,;6.38,-50.09,;5.35,-51.25,;3.84,-50.92,;2.59,-51.82,;1.35,-50.91,;1.84,-49.45,;3.37,-49.46,)| Show InChI InChI=1S/C30H24F2N8/c1-38-15-19-13-18(38)16-39(19)25-6-5-21(27(31)28(25)32)24-9-12-34-30-26(20-3-2-4-23-22(20)14-35-36-23)29(37-40(24)30)17-7-10-33-11-8-17/h2-12,14,18-19H,13,15-16H2,1H3,(H,35,36)/t18-,19-/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	0.610	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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