BDBM50330919 3-(1H-indazol-4-yl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine::CHEMBL1276168

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

InChI Key: InChIKey=OKXYKSQQZLCBJK-GOTSBHOMSA-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 = 50330919   

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))	BDBM50330919 (3-(1H-indazol-4-yl)-7-(2-methyl-4-((1S,4S)-5-methy...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(c(C)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(14.11,6.43,;14.12,4.89,;12.79,4.1,;12.8,2.57,;13.88,3.67,;15.46,4.12,;15.47,2.58,;14.13,1.81,;14.14,.27,;15.48,-.49,;15.48,-2.03,;14.15,-2.81,;12.81,-2.05,;11.48,-2.82,;12.8,-.51,;14.16,-4.34,;12.83,-5.11,;12.83,-6.66,;14.16,-7.43,;15.49,-6.66,;16.97,-7.14,;17.88,-5.88,;16.97,-4.63,;15.49,-5.11,;19.42,-5.88,;20.19,-7.22,;21.73,-7.22,;22.5,-5.88,;21.72,-4.54,;20.18,-4.55,;17.45,-8.6,;18.95,-8.92,;19.43,-10.38,;18.4,-11.53,;16.89,-11.21,;15.64,-12.11,;14.4,-11.2,;14.88,-9.74,;16.42,-9.75,)| Show InChI InChI=1S/C31H28N8/c1-19-14-21(38-18-22-15-23(38)17-37(22)2)6-7-24(19)28-10-13-33-31-29(25-4-3-5-27-26(25)16-34-35-27)30(36-39(28)31)20-8-11-32-12-9-20/h3-14,16,22-23H,15,17-18H2,1-2H3,(H,34,35)/t22-,23-/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	0.510	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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