BDBM314496 (R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)methanone::US9611262, Example 58::US9611262, Example 63

SMILES: CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1

InChI Key: InChIKey=SKGKHYXUGXDINH-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 314496   

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 receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	78	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	236	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 US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair