BDBM50185315 CHEMBL3823958

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12

InChI Key: InChIKey=RQVAKFTYFHCKSG-IOWSJCHKSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50185315   

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))	BDBM50185315 (CHEMBL3823958) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0800	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 transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting				J Med Chem 59: 4985-98 (2016) BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50185315 (CHEMBL3823958) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	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 transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting				J Med Chem 59: 4985-98 (2016) BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50185315 (CHEMBL3823958) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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 cell membranes after 1 hr by liquid scintillation counting				J Med Chem 59: 4985-98 (2016) BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50185315 (CHEMBL3823958) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/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	2.60	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat MOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay				J Med Chem 59: 4985-98 (2016) BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50185315 (CHEMBL3823958) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C34H35N3O3/c1-22-17-27(38)18-23(2)28(22)21-30(35)33(39)36-31-15-16-37(34(40)26-11-7-4-8-12-26)32-14-13-25(20-29(31)32)19-24-9-5-3-6-10-24/h3-14,17-18,20,30-31,38H,15-16,19,21,35H2,1-2H3,(H,36,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS assay				J Med Chem 59: 4985-98 (2016) BindingDB Entry DOI: 10.7270/Q28917SS
					More data for this Ligand-Target Pair