BDBM50157793 6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alpha-epoxy-4',5',6',7'-tetrahydroindolo[2',3';6,7]morphinan::CHEMBL374228

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O

InChI Key: InChIKey=FITWJUAGQFUQPT-OSHIAZECSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50157793   

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))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/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	n/a	n/a	n/a	n/a	222	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/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	8.5	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50157793 (6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/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	97	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 47: 6645-8 (2004) Article DOI: 10.1021/jm040817t BindingDB Entry DOI: 10.7270/Q2C53MNV
					More data for this Ligand-Target Pair