BDBM50166636 CHEMBL370538::N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-2-{4-[(thiophen-2-ylmethanesulfonylamino)-methyl]-phenyl}-acetamide

SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1

InChI Key: InChIKey=ICXBFICRTSSMNH-AZGAKELHSA-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 = 50166636   

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))	BDBM50166636 (CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80	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))	BDBM50166636 (CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	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))	BDBM50166636 (CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.06E+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 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166636 (CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.80	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50166636 (CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+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