Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314988'   

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))	BDBM314988 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...) Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314988 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...) Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314988 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...) Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314988 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...) Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair