BDBM50427557 CHEMBL2322561

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12

InChI Key: InChIKey=XIKCSOSQBVZUIJ-MFMCTBQISA-N

Data: 6 KI  4 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 10 hits for monomerid = 50427557   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis				J Med Chem 58: 8952-69 (2015) BindingDB Entry DOI: 10.7270/Q2RR213J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis				J Med Chem 56: 2139-49 (2013) Article DOI: 10.1021/jm400050y BindingDB Entry DOI: 10.7270/Q2K075MP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis				J Med Chem 58: 8952-69 (2015) BindingDB Entry DOI: 10.7270/Q2RR213J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis				J Med Chem 56: 2139-49 (2013) Article DOI: 10.1021/jm400050y BindingDB Entry DOI: 10.7270/Q2K075MP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis				J Med Chem 58: 8952-69 (2015) BindingDB Entry DOI: 10.7270/Q2RR213J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis				J Med Chem 56: 2139-49 (2013) Article DOI: 10.1021/jm400050y BindingDB Entry DOI: 10.7270/Q2K075MP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.840	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting...				J Med Chem 58: 8952-69 (2015) BindingDB Entry DOI: 10.7270/Q2RR213J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.840	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat MOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting a...				J Med Chem 56: 2139-49 (2013) Article DOI: 10.1021/jm400050y BindingDB Entry DOI: 10.7270/Q2K075MP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat DOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting a...				J Med Chem 56: 2139-49 (2013) Article DOI: 10.1021/jm400050y BindingDB Entry DOI: 10.7270/Q2K075MP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50427557 (CHEMBL2322561) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r| Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat delta-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation count...				J Med Chem 58: 8952-69 (2015) BindingDB Entry DOI: 10.7270/Q2RR213J
					More data for this Ligand-Target Pair