BDBM50374456 CHEMBL256789

SMILES: O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1

InChI Key: InChIKey=YEEHYSIRJFNKKW-QHCPKHFHSA-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 = 50374456   

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))	BDBM50374456 (CHEMBL256789) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-13-6-7-14-22(21)29-26)30-16-8-15-23(30)25(32)27-20-12-5-4-11-19(20)18-9-2-1-3-10-18/h1-7,9-14,23H,8,15-17H2,(H,27,32)(H,28,29)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50374456 (CHEMBL256789) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-13-6-7-14-22(21)29-26)30-16-8-15-23(30)25(32)27-20-12-5-4-11-19(20)18-9-2-1-3-10-18/h1-7,9-14,23H,8,15-17H2,(H,27,32)(H,28,29)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair