BDBM50290076 CHEMBL558596::N-[(S)-1-(3-Acetylamino-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide; hydrochloride

SMILES: CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FCEBQYDCYXPCAL-JOCHJYFZSA-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 = 50290076   

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 (Cavia porcellus (domestic guinea pig))	BDBM50290076 (CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0855	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand				Bioorg Med Chem Lett 7: 2271-2276 (1997) Article DOI: 10.1016/S0960-894X(97)00406-X BindingDB Entry DOI: 10.7270/Q2GB242Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290076 (CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Opioid receptor mu 1 binding to guinea pig brain membranes, using [3H]- DAMGO as radioligand				Bioorg Med Chem Lett 7: 2271-2276 (1997) Article DOI: 10.1016/S0960-894X(97)00406-X BindingDB Entry DOI: 10.7270/Q2GB242Q
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50290076 (CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]-naltrindole as radiolig...				Bioorg Med Chem Lett 7: 2271-2276 (1997) Article DOI: 10.1016/S0960-894X(97)00406-X BindingDB Entry DOI: 10.7270/Q2GB242Q
					More data for this Ligand-Target Pair