BDBM50166631 2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::CHEMBL363718

SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O

InChI Key: InChIKey=IOMBTJHDNAUCSO-HSZRJFAPSA-N

Data: 3 KI  1 IC50  1 EC50

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 5 hits for monomerid = 50166631   

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))	BDBM50166631 (2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50166631 (2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50166631 (2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50166631 (2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166631 (2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair