null

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O

InChI Key: InChIKey=DIAAKKARDRDKAQ-NVSKSXHLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50026996   

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))	BDBM50026996 (CHEMBL2113654) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4| Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80				J Med Chem 45: 5378-83 (2002) BindingDB Entry DOI: 10.7270/Q2R21244
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50026996 (CHEMBL2113654) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4| Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.				J Med Chem 45: 5378-83 (2002) BindingDB Entry DOI: 10.7270/Q2R21244
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50026996 (CHEMBL2113654) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4| Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	349	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.				J Med Chem 45: 5378-83 (2002) BindingDB Entry DOI: 10.7270/Q2R21244
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50026996 (CHEMBL2113654) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4| Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.				J Med Chem 45: 5378-83 (2002) BindingDB Entry DOI: 10.7270/Q2R21244
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50026996 (CHEMBL2113654) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4| Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist				J Med Chem 45: 5378-83 (2002) BindingDB Entry DOI: 10.7270/Q2R21244
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50026996 (CHEMBL2113654) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)OCC)ccc3O |r,THB:10:9:16:6.5.4| Show InChI InChI=1S/C27H28N2O3/c1-3-12-29-13-11-26-22-16-9-10-20(30)24(22)32-25(26)23-18(17-7-5-6-8-19(17)28-23)15-27(26,31-4-2)21(29)14-16/h3,5-10,21,25,28,30H,1,4,11-15H2,2H3/t21-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist				J Med Chem 45: 5378-83 (2002) BindingDB Entry DOI: 10.7270/Q2R21244
					More data for this Ligand-Target Pair