Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM164161'   

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))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	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))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	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
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	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))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	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 (Homo sapiens (Human))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	-39.6	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))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	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 (Homo sapiens (Human))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	-39.6	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))	BDBM164161 (US9062078, 291 | US9475819, 291 | US9637496, 291 |...) Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F |TLB:22:20:18.17:15| Show InChI InChI=1S/C23H22F3N5O2/c1-2-33-17-8-5-13-4-3-9-27-21(13)20(17)22(32)31-14-6-7-16(31)15(10-14)30-19-12-28-18(11-29-19)23(24,25)26/h3-5,8-9,11-12,14-16H,2,6-7,10H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35	-39.6	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