Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM164165'   

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))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-43.0	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))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-43.0	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))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-43.0	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))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	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))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	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))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 (Rattus norvegicus (Rat))	BDBM164165 (US9062078, 295 | US9475819, 295 | US9637496, 295 |...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9	-48.2	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