null

SMILES: Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1

InChI Key: InChIKey=KBOYUJJQCAMZDT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 315015   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)	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))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)	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
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	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 (Rattus norvegicus (Rat))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	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 receptor type 2 (Homo sapiens (Human))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	60	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 receptor type 2 (Homo sapiens (Human))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair