null

SMILES: Cc1cnc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1

InChI Key: InChIKey=JTCWLFQDWNOMTP-UXHICEINSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50094007   

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 2 (Homo sapiens (Human))	BDBM50094007 (CHEMBL3585941) Show SMILES Cc1cnc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C22H21NO4/c1-15-13-19(27-21(15)24)20-18-10-6-5-9-17(18)11-12-23(20)22(25)26-14-16-7-3-2-4-8-16/h2-10,13,19-20H,11-12,14H2,1H3/t19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50094007 (CHEMBL3585941) Show SMILES Cc1cnc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C22H21NO4/c1-15-13-19(27-21(15)24)20-18-10-6-5-9-17(18)11-12-23(20)22(25)26-14-16-7-3-2-4-8-16/h2-10,13,19-20H,11-12,14H2,1H3/t19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair