BDBM314436 (R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azabicyclo[2.2.1]heptan-2-yl)(2-(pyrimidin-2-yl)phenyl)methanone::US9611262, Example 15::US9611262, Example 33

SMILES: CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1

InChI Key: InChIKey=CBVXBQFZGHOZCF-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 = 314436   

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))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	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))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	602	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))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20E+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