Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50046368   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50108622 (CHEMBL3597964 | US9403813, 111) Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for ...				Bioorg Med Chem Lett 25: 2875-87 (2015) Article DOI: 10.1016/j.bmcl.2015.05.012 BindingDB Entry DOI: 10.7270/Q2BZ67T9
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50108621 (CHEMBL3597963 | US9403813, 28) Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6O3/c1-13-11-19(30-25-8-9-26-30)16(12-20(13)32-3)23(31)29-10-7-18(29)22-27-21(28-33-22)15-5-4-6-17(24)14(15)2/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for ...				Bioorg Med Chem Lett 25: 2875-87 (2015) Article DOI: 10.1016/j.bmcl.2015.05.012 BindingDB Entry DOI: 10.7270/Q2BZ67T9
					More data for this Ligand-Target Pair