BDBM314443 (R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azabicyclo[2.2.1]heptan-2-yl)methanone::US9611262, Example 167::US9611262, Example 18::US9611262, Example 18B

SMILES: CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1

InChI Key: InChIKey=VWQZZPXHGNEBLW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 314443   

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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	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 (OX1) (Rattus norvegicus (Rat))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	767	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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	879	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))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60E+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