BDBM315087 (2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5-bromopyridin-2-yl)oxy)-2-azabicyclo[2.2.2]octan-2-yl)methanone::US10183953, Example 268::US9611277, Example 268

SMILES: Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1

InChI Key: InChIKey=QWHXRHHISYFFAY-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 = 315087   

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 (Homo sapiens (Human))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	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 receptor type 1 (Homo sapiens (Human))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	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 receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	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 1 (OX1) (Rattus norvegicus (Rat))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	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 receptor type 2 (Homo sapiens (Human))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	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