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SMILES: [H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CCC1)[C@H]2C

InChI Key: InChIKey=DARNEFFTPDYZKR-TUIFFPIZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458144   

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))	BDBM50458144 (CHEMBL4211113) Show SMILES [H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CCC1)[C@H]2C |r,THB:11:12:23:15.16.17,18:17:23:3.12.2| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR (unknown origin) expressed in CHO cell membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50458144 (CHEMBL4211113) Show SMILES [H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CCC1)[C@H]2C |r,THB:11:12:23:15.16.17,18:17:23:3.12.2| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR (unknown origin) expressed in CHO cell membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50458144 (CHEMBL4211113) Show SMILES [H][C@]12Cc3cc4sc(N)nc4cc3[C@@](C)(CCN1CC1CCC1)[C@H]2C |r,THB:11:12:23:15.16.17,18:17:23:3.12.2| Show InChI InChI=1S/C20H27N3S/c1-12-17-8-14-9-18-16(22-19(21)24-18)10-15(14)20(12,2)6-7-23(17)11-13-4-3-5-13/h9-10,12-13,17H,3-8,11H2,1-2H3,(H2,21,22)/t12-,17+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from DOR (unknown origin) expressed in CHO cell membranes				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair