Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM64646'   

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 (Rattus norvegicus (Rat))	BDBM64646 (US9475819, 8A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3/t14-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	-42.7	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM64646 (US9475819, 8A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3/t14-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human OXIR				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00085 BindingDB Entry DOI: 10.7270/Q2348Q4F
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM64646 (US9475819, 8A) Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3/t14-,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	-41.7	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair