Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50136701   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor				J Med Chem 52: 891-903 (2009) Article DOI: 10.1021/jm801296d BindingDB Entry DOI: 10.7270/Q2TM7B3D
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor				J Med Chem 52: 891-903 (2009) Article DOI: 10.1021/jm801296d BindingDB Entry DOI: 10.7270/Q2TM7B3D
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	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