BDBM50417261 CHEMBL1272259

SMILES: CCC(C)NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1

InChI Key: InChIKey=KGPPTMBYDJRVJE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50417261   

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))	BDBM50417261 (CHEMBL1272259) Show SMILES CCC(C)NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1 Show InChI InChI=1S/C18H22N4O3S/c1-4-12(2)19-16(23)11-26-18-21-20-17(15-7-9-24-13(15)3)22(18)10-14-6-5-8-25-14/h5-9,12H,4,10-11H2,1-3H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 6405-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.090 BindingDB Entry DOI: 10.7270/Q2W37WKR
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50417261 (CHEMBL1272259) Show SMILES CCC(C)NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1 Show InChI InChI=1S/C18H22N4O3S/c1-4-12(2)19-16(23)11-26-18-21-20-17(15-7-9-24-13(15)3)22(18)10-14-6-5-8-25-14/h5-9,12H,4,10-11H2,1-3H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 20: 6405-7 (2010) Article DOI: 10.1016/j.bmcl.2010.09.090 BindingDB Entry DOI: 10.7270/Q2W37WKR
					More data for this Ligand-Target Pair