null

SMILES: [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=BKQBFRVSDQFWGQ-HRVQGIQQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50253140   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.658	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by...				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by Eu...				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair