Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM163989'   

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))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 NM001525) or Chinese ovary cells (CHO) s...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14	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 US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	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 US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	-41.5	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 US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	-46.9	n/a	n/a	n/a	n/a	n/a	n/a	40
JANSSEN PHARMACEUTICA NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM163989 (US9062078, 120 | US9475819, 120 | US9637496, 120 |...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2cc(Cl)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C21H19ClFN5O2/c22-14-1-4-19(28-25-7-8-26-28)17(10-14)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15	-41.5	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