BDBM50133896 CHEMBL3634252

SMILES: CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12

InChI Key: InChIKey=XKVCLVBSFZEOMB-IOWSJCHKSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50133896   

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))	BDBM50133896 (CHEMBL3634252) Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r| Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50133896 (CHEMBL3634252) Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r| Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50133896 (CHEMBL3634252) Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r| Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50133896 (CHEMBL3634252) Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r| Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/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	0.930	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