BDBM50092521 3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxycarbonyl-methyl]-methyl-amino}-methyl)-1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester::3FLB::CHEMBL447234

SMILES: COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O

InChI Key: InChIKey=FULKUASFWUWDLU-UHFFFAOYSA-N

Data: 3 KI

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 = 50092521   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092521 (3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxyca...) Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8| Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-7-5-9-17(26)11-15)29(2)20(16-8-6-10-18(27)12-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1				J Med Chem 43: 3746-51 (2000) BindingDB Entry DOI: 10.7270/Q2H41QPP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092521 (3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxyca...) Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8| Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-7-5-9-17(26)11-15)29(2)20(16-8-6-10-18(27)12-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 312: 220-30 (2005) Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092521 (3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxyca...) Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8| Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-7-5-9-17(26)11-15)29(2)20(16-8-6-10-18(27)12-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by PDSP Ki Database									J Pharmacol Exp Ther 312: 220-30 (2005) Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G
					More data for this Ligand-Target Pair