BDBM50304172 17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[(4'-t-butyl)benzamido]morphinan-oxalate::CHEMBL611932

SMILES: CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=COQVMBCVISUHKI-MFVFZHPYSA-N

Data: 7 KI  8 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 15 hits for monomerid = 50304172   

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))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at NOP expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	15	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	4.00E+3	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	0.300	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at delta opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	0.400	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50304172 (17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Activity at mu opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 17: 6671-81 (2009) Article DOI: 10.1016/j.bmc.2009.07.069 BindingDB Entry DOI: 10.7270/Q2PK0H37
					More data for this Ligand-Target Pair