BDBM50136711 (S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(1-methyl-1H-pyrrol-2-ylmethyl)-amino]-butan-1-one::CHEMBL140547

SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C

InChI Key: InChIKey=PQFAHNADQUUXGS-OAQYLSRUSA-N

Data: 2 IC50

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 2 hits for monomerid = 50136711   

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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50136711 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C Show InChI InChI=1S/C23H33N3O3/c1-23(2,3)21(24-14-18-8-7-10-25(18)4)22(27)26-11-9-16-12-19(28-5)20(29-6)13-17(16)15-26/h7-8,10,12-13,21,24H,9,11,14-15H2,1-6H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136711 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C Show InChI InChI=1S/C23H33N3O3/c1-23(2,3)21(24-14-18-8-7-10-25(18)4)22(27)26-11-9-16-12-19(28-5)20(29-6)13-17(16)15-26/h7-8,10,12-13,21,24H,9,11,14-15H2,1-6H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair