BDBM50311984 3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol::CHEMBL1087000

SMILES: Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1

InChI Key: InChIKey=ISWMSPMQTFQNOK-GMAHTHKFSA-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 = 50311984   

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))	BDBM50311984 (3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-y...) Show SMILES Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2)-c1ccncc1 |r| Show InChI InChI=1S/C28H24N6O/c35-24-3-1-2-20(14-24)26-27(19-8-11-29-12-9-19)32-34-25(10-13-30-28(26)34)18-4-6-22(7-5-18)33-17-21-15-23(33)16-31-21/h1-14,21,23,31,35H,15-17H2/t21-,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	0.490	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