BDBM314665 US9611262, Example 197::[(1R,3R,4S,6R)-3-[(5-chloro-2-pyridyl)oxy]-2,2-dideuterio-6-methyl-5-azabicyclo[2.2.1]heptan-5-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone

SMILES: CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1

InChI Key: InChIKey=NNPVCBSQYVFBFK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 314665   

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))	BDBM314665 (US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3	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))	BDBM314665 (US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3	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 2 (Homo sapiens (Human))	BDBM314665 (US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	481	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