BDBM50148912 CHEMBL3770284

SMILES: N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12

InChI Key: InChIKey=NOSNXRLWJBVCAZ-AHKZPQOWSA-N

Data: 3 KI

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 3 hits for monomerid = 50148912   

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))	BDBM50148912 (CHEMBL3770284) Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	440	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 method				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50148912 (CHEMBL3770284) Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	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 method				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50148912 (CHEMBL3770284) Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	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 method				ACS Med Chem Lett 6: 1199-203 (2015) BindingDB Entry DOI: 10.7270/Q20V8FN5
					More data for this Ligand-Target Pair