Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50321513'   

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))	BDBM50321513 (((1S,5R)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...) Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1R				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50321513 (((1S,5R)-3-(7-fluoroquinazolin-2-yl)-3,6-diazabicy...) Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@@H]2CC[C@H]1CN(C2)c1ncc2ccc(F)cc2n1)-n1nccn1 |r,THB:7:9:15.16.17:13.12| Show InChI InChI=1S/C25H24FN7O/c1-16-2-7-23(33-28-8-9-29-33)21(10-16)24(34)32-14-17-3-6-20(32)15-31(13-17)25-27-12-18-4-5-19(26)11-22(18)30-25/h2,4-5,7-12,17,20H,3,6,13-15H2,1H3/t17-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at OX1R by FLIPR assay				Bioorg Med Chem Lett 20: 4201-5 (2010) Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F
					More data for this Ligand-Target Pair