BDBM50417240 CHEMBL1271701

SMILES: Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1

InChI Key: InChIKey=YGBDBOGSRZEGDB-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 = 50417240   

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))	BDBM50417240 (CHEMBL1271701) Show SMILES Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1 Show InChI InChI=1S/C20H18N4O3S/c1-14-17(9-11-26-14)19-22-23-20(24(19)12-16-8-5-10-27-16)28-13-18(25)21-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 receptor type 1 (Homo sapiens (Human))	BDBM50417240 (CHEMBL1271701) Show SMILES Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccco1 Show InChI InChI=1S/C20H18N4O3S/c1-14-17(9-11-26-14)19-22-23-20(24(19)12-16-8-5-10-27-16)28-13-18(25)21-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,21,25)	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