BDBM50157794 6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-methyl-1'phenylethyl-4',5',6',7'-tetrahydroindolo[2',3':6,7]morphinan::CHEMBL222814

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O

InChI Key: InChIKey=LQQGHYQRJMGRFW-XJHIRHBFSA-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 = 50157794   

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))	BDBM50157794 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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))	BDBM50157794 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/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	15	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))	BDBM50157794 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50157794 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/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	131	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50157794 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/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	12	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50157794 (6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1| Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/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	175	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