BDBM314617 US9611262, Example 121::US9611262, Example 195::[(1R,2R,4S,5R)-5-[(5-chloro-2-pyridyl)oxy]-2-methyl-3-azabicyclo[2.2.1]heptan-3-yl]-[2-(triazol-2-yl)phenyl]methanone

SMILES: CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=HUMKASCKFNGBJK-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 = 314617   

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))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	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 (Homo sapiens (Human))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	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 (Homo sapiens (Human))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	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))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	423	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))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	523	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