BDBM50153847 3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-benzoylamino]-phenyl}-5-pyrrolidin-1-yl-benzamide::CHEMBL184712

SMILES: Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1

InChI Key: InChIKey=PHMWPKDBVRDSTN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50153847   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153847 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H29FN4O3/c1-21-7-10-25(34-31(38)23-16-24(32)18-27(17-23)36-14-4-5-15-36)19-29(21)35-30(37)22-8-11-28(12-9-22)39-20-26-6-2-3-13-33-26/h2-3,6-13,16-19H,4-5,14-15,20H2,1H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Concentration required to inhibit human mitogen activated protein kinase p38 activity				Bioorg Med Chem Lett 14: 5383-7 (2004) Article DOI: 10.1016/j.bmcl.2004.08.006 BindingDB Entry DOI: 10.7270/Q28G8K57
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153847 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H29FN4O3/c1-21-7-10-25(34-31(38)23-16-24(32)18-27(17-23)36-14-4-5-15-36)19-29(21)35-30(37)22-8-11-28(12-9-22)39-20-26-6-2-3-13-33-26/h2-3,6-13,16-19H,4-5,14-15,20H2,1H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 4907-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50153847 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H29FN4O3/c1-21-7-10-25(34-31(38)23-16-24(32)18-27(17-23)36-14-4-5-15-36)19-29(21)35-30(37)22-8-11-28(12-9-22)39-20-26-6-2-3-13-33-26/h2-3,6-13,16-19H,4-5,14-15,20H2,1H3,(H,34,38)(H,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay				Bioorg Med Chem Lett 22: 4907-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG
					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50153847 (3-Fluoro-N-{4-methyl-3-[4-(pyridin-2-ylmethoxy)-be...) Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)N2CCCC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 Show InChI InChI=1S/C31H29FN4O3/c1-21-7-10-25(34-31(38)23-16-24(32)18-27(17-23)36-14-4-5-15-36)19-29(21)35-30(37)22-8-11-28(12-9-22)39-20-26-6-2-3-13-33-26/h2-3,6-13,16-19H,4-5,14-15,20H2,1H3,(H,34,38)(H,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Renilla luciferase assay				Bioorg Med Chem Lett 22: 4907-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG
					More data for this Ligand-Target Pair