BDBM50115071 1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-methoxy-phenyl)-urea::CHEMBL42388

SMILES: COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1

InChI Key: InChIKey=JXTQWHXHDNHUMI-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50115071   

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))	BDBM50115071 (1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...) Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1 Show InChI InChI=1S/C23H30FN3O2/c1-29-22-5-2-4-21(17-22)26-23(28)25-12-3-13-27-14-10-19(11-15-27)16-18-6-8-20(24)9-7-18/h2,4-9,17,19H,3,10-16H2,1H3,(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	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))	BDBM50115071 (1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...) Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1 Show InChI InChI=1S/C23H30FN3O2/c1-29-22-5-2-4-21(17-22)26-23(28)25-12-3-13-27-14-10-19(11-15-27)16-18-6-8-20(24)9-7-18/h2,4-9,17,19H,3,10-16H2,1H3,(H2,25,26,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50115071 (1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-...) Show SMILES COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1 Show InChI InChI=1S/C23H30FN3O2/c1-29-22-5-2-4-21(17-22)26-23(28)25-12-3-13-27-14-10-19(11-15-27)16-18-6-8-20(24)9-7-18/h2,4-9,17,19H,3,10-16H2,1H3,(H2,25,26,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibition if C-C chemokine receptor type 3 (CCR3) using 150p M [125I]-labeled human eotaxin				Bioorg Med Chem Lett 12: 1785-9 (2002) BindingDB Entry DOI: 10.7270/Q28W3CN8
					More data for this Ligand-Target Pair