BDBM50166617 2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phenyl}-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide::CHEMBL190353

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

InChI Key: InChIKey=YGDNZEQEQWCWEU-AHKZPQOWSA-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 = 50166617   

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))	BDBM50166617 (2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50166617 (2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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))	BDBM50166617 (2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/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	1.08E+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))	BDBM50166617 (2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/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	22	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))	BDBM50166617 (2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.79E+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