BDBM50166623 CHEMBL192998::N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(toluene-4-sulfonylamino)-methyl]-phenyl}-acetamide

SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=DBMWKWBOQVTUTN-XTEPFMGCSA-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 = 50166623   

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))	BDBM50166623 (CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50166623 (CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50166623 (CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	703	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50166623 (CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.65E+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))	BDBM50166623 (CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/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	14	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes				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