BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
51079429	C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1	InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	JYTNQNCOQXFQPK-MRXNPFEDSA-N	50318701	CHEMBL1083659::MK-4305::[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone	Orexin/Hypocretin receptor type 1	Mus musculus	 1.7								ChEMBL	10.1021/jm4007627	10.7270/Q2M90B3S	23964859			Betschart, C; Hintermann, S; Behnke, D; Cotesta, S; Fendt, M; Gee, CE; Jacobson, LH; Laue, G; Ofner, S; Chaudhari, V; Badiger, S; Pandit, C; Wagner, J; Hoyer, D	Novartis Institutes for BioMedical Research	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50318701	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006439&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50318701&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search	SUV	4ZJ8,6TPJ,4S0V,6TO7	24965990	104153062		CHEMBL1083659	DB09034	2890		ZINC49036447	1	MEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGQALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQAAVMECSSVLPELANRTRLFSVCDEHWADELYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPGSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS	6V9S	Orexin/Hypocretin receptor type 1	OX1R_MOUSE	P58307	Q0VDP5 Q3USS9 Q6VNS3 Q80T45						
51079430	COc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1	InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3	PCMHOSYCWRRHTG-UHFFFAOYSA-N	50441375	CHEMBL2435402	Orexin/Hypocretin receptor type 1	Mus musculus	 457								ChEMBL	10.1021/jm4007627	10.7270/Q2M90B3S	23964859			Betschart, C; Hintermann, S; Behnke, D; Cotesta, S; Fendt, M; Gee, CE; Jacobson, LH; Laue, G; Ofner, S; Chaudhari, V; Badiger, S; Pandit, C; Wagner, J; Hoyer, D	Novartis Institutes for BioMedical Research	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441375	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006439&target=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441375&enzyme=Orexin%2FHypocretin+receptor+type+1&column=ki&startPg=0&Increment=50&submit=Search			56970858	175453692		CHEMBL2435402				ZINC96285053	1	MEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGQALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQAAVMECSSVLPELANRTRLFSVCDEHWADELYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPGSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS	6V9S	Orexin/Hypocretin receptor type 1	OX1R_MOUSE	P58307	Q0VDP5 Q3USS9 Q6VNS3 Q80T45