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SMILES: Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O

InChI Key: InChIKey=QYHVPBIPLXLQGO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50125459   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50125459 (5-(2,4-Dichloro-phenyl)-3-(1-phenyl-2-pyrrolidin-1...) Show SMILES Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C22H21Cl2N3O/c23-17-8-9-18(20(24)12-17)19-13-25-15-27(22(19)28)21(14-26-10-4-5-11-26)16-6-2-1-3-7-16/h1-3,6-9,12-13,15,21H,4-5,10-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-Deltorphin binding to human delta opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50125459 (5-(2,4-Dichloro-phenyl)-3-(1-phenyl-2-pyrrolidin-1...) Show SMILES Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C22H21Cl2N3O/c23-17-8-9-18(20(24)12-17)19-13-25-15-27(22(19)28)21(14-26-10-4-5-11-26)16-6-2-1-3-7-16/h1-3,6-9,12-13,15,21H,4-5,10-11,14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-Enkephalin binding to human mu opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50125459 (5-(2,4-Dichloro-phenyl)-3-(1-phenyl-2-pyrrolidin-1...) Show SMILES Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C22H21Cl2N3O/c23-17-8-9-18(20(24)12-17)19-13-25-15-27(22(19)28)21(14-26-10-4-5-11-26)16-6-2-1-3-7-16/h1-3,6-9,12-13,15,21H,4-5,10-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair