BDBM50115021 1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea::CHEMBL43677

SMILES: Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1

InChI Key: InChIKey=JHJVGMKZQAABON-UHFFFAOYSA-N

Data: 1 KI  3 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 = 50115021   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50115021 (1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piper...) Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1 Show InChI InChI=1S/C23H27FN4O/c24-21-7-5-18(6-8-21)15-19-9-13-28(14-10-19)12-2-11-26-23(29)27-22-4-1-3-20(16-22)17-25/h1,3-8,16,19H,2,9-15H2,(H2,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 14: 1645-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.059 BindingDB Entry DOI: 10.7270/Q2RB741N
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50115021 (1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piper...) Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1 Show InChI InChI=1S/C23H27FN4O/c24-21-7-5-18(6-8-21)15-19-9-13-28(14-10-19)12-2-11-26-23(29)27-22-4-1-3-20(16-22)17-25/h1,3-8,16,19H,2,9-15H2,(H2,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro C-C chemokine receptor type 3 receptor activity of compound to inhibit eotaxin induced [Ca2+] mobilization in human eosinophil chemotaxis as...				Bioorg Med Chem Lett 12: 1785-9 (2002) BindingDB Entry DOI: 10.7270/Q28W3CN8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50115021 (1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piper...) Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1 Show InChI InChI=1S/C23H27FN4O/c24-21-7-5-18(6-8-21)15-19-9-13-28(14-10-19)12-2-11-26-23(29)27-22-4-1-3-20(16-22)17-25/h1,3-8,16,19H,2,9-15H2,(H2,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro C-C chemokine receptor type 3 activity of compound by using eotaxin induced human eosinophil chemotaxis assay				Bioorg Med Chem Lett 12: 1785-9 (2002) BindingDB Entry DOI: 10.7270/Q28W3CN8
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50115021 (1-(3-Cyano-phenyl)-3-{3-[4-(4-fluoro-benzyl)-piper...) Show SMILES Fc1ccc(CC2CCN(CCCNC(=O)Nc3cccc(c3)C#N)CC2)cc1 Show InChI InChI=1S/C23H27FN4O/c24-21-7-5-18(6-8-21)15-19-9-13-28(14-10-19)12-2-11-26-23(29)27-22-4-1-3-20(16-22)17-25/h1,3-8,16,19H,2,9-15H2,(H2,26,27,29)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]-eotaxin.				Bioorg Med Chem Lett 14: 1645-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.059 BindingDB Entry DOI: 10.7270/Q2RB741N
					More data for this Ligand-Target Pair