null

SMILES: CCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1

InChI Key: InChIKey=WTPOPKWPGATTAB-YADARESESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50094022   

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))	BDBM50094022 (CHEMBL3585940) Show SMILES CCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-3-20-21(14-26-16(2)28-20)31-15-24(18-7-5-4-6-8-18)11-19(24)23(30)29-22-10-9-17(12-25)13-27-22/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,27,29,30)/t19-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	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))	BDBM50094022 (CHEMBL3585940) Show SMILES CCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-3-20-21(14-26-16(2)28-20)31-15-24(18-7-5-4-6-8-18)11-19(24)23(30)29-22-10-9-17(12-25)13-27-22/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,27,29,30)/t19-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	121	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