BDBM50001105 2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone::CHEMBL101396

SMILES: C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HHXMAUKRPCOLOF-XESZBRCGSA-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 = 50001105   

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))	BDBM50001105 (2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...) Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Receptor binding affinity towards opioid receptor kappa				J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50001105 (2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...) Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Receptor binding affinity towards opioid receptor mu				J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50001105 (2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...) Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Receptor binding affinity towards opioid receptor delta				J Med Chem 35: 2970-8 (1992) BindingDB Entry DOI: 10.7270/Q2P26ZR7
					More data for this Ligand-Target Pair