BDBM50311989 7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine::CHEMBL1080652

SMILES: COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1F)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1

InChI Key: InChIKey=TVWBHTHGDNQIBV-UNMCSNQZSA-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 = 50311989   

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))	BDBM50311989 (7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-...) Show SMILES COc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1F)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1 |r| Show InChI InChI=1S/C29H25FN6O/c1-37-23-4-2-3-19(13-23)27-28(18-7-10-31-11-8-18)34-36-26(9-12-32-29(27)36)24-6-5-21(15-25(24)30)35-17-20-14-22(35)16-33-20/h2-13,15,20,22,33H,14,16-17H2,1H3/t20-,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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation				Bioorg Med Chem Lett 19: 6571-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.030 BindingDB Entry DOI: 10.7270/Q29Z9510
					More data for this Ligand-Target Pair