BDBM50067495 2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-ylamine::CHEMBL113851

SMILES: COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1

InChI Key: InChIKey=GGUFDSKGQOZGOY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50067495   

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
MAP kinase p38 (Homo sapiens (Human))	BDBM50067495 (2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyri...) Show SMILES COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H21FN4O2/c1-32-20-4-2-3-16(13-20)15-33-21-14-22(28)30-26-24(21)23(17-9-11-29-12-10-17)25(31-26)18-5-7-19(27)8-6-18/h2-14H,15H2,1H3,(H3,28,30,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells				Bioorg Med Chem Lett 8: 3335-40 (1998) BindingDB Entry DOI: 10.7270/Q25T3NNZ
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50067495 (2-(4-Fluoro-phenyl)-4-(3-methoxy-benzyloxy)-3-pyri...) Show SMILES COc1cccc(COc2cc(N)nc3[nH]c(c(-c4ccncc4)c23)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H21FN4O2/c1-32-20-4-2-3-16(13-20)15-33-21-14-22(28)30-26-24(21)23(17-9-11-29-12-10-17)25(31-26)18-5-7-19(27)8-6-18/h2-14H,15H2,1H3,(H3,28,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 at 5 uM				J Med Chem 41: 4196-8 (1998) Article DOI: 10.1021/jm980497b BindingDB Entry DOI: 10.7270/Q2GT5M9M
					More data for this Ligand-Target Pair