BDBM50373816 CHEMBL270237

SMILES: CCCCS(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1

InChI Key: InChIKey=YTWQKHQJTROKAZ-HNNXBMFYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50373816   

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
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM50373816 (CHEMBL270237) Show SMILES CCCCS(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 Show InChI InChI=1S/C18H29N5O2S2/c1-4-5-10-27(24,25)23-8-6-22(7-9-23)11-15(3)21-18-17-16(19-13-20-18)14(2)12-26-17/h12-13,15H,4-11H2,1-3H3,(H,19,20,21)/t15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay				Bioorg Med Chem Lett 18: 1037-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.024 BindingDB Entry DOI: 10.7270/Q2JQ11W8
					More data for this Ligand-Target Pair