BDBM50271625 2-(2-(2-aminoacetamido)-3-(2,4-dinitrophenylthio)propanamido)pentanedioic acid::CHEMBL482887

SMILES: NCC(=O)NC(CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key: InChIKey=OSSQUEJBPITDNX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50271625   

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 3 (LPAR3) (Homo sapiens (Human))	BDBM50271625 (2-(2-(2-aminoacetamido)-3-(2,4-dinitrophenylthio)p...) Show SMILES NCC(=O)NC(CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-6-13(22)18-10(15(25)19-9(16(26)27)2-4-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,22)(H,19,25)(H,23,24)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response				Bioorg Med Chem 17: 7457-64 (2009) Article DOI: 10.1016/j.bmc.2009.09.022 BindingDB Entry DOI: 10.7270/Q2GB244M
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50271625 (2-(2-(2-aminoacetamido)-3-(2,4-dinitrophenylthio)p...) Show SMILES NCC(=O)NC(CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-6-13(22)18-10(15(25)19-9(16(26)27)2-4-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,22)(H,19,25)(H,23,24)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Antagonist activity at LPA3 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...				Bioorg Med Chem 16: 6207-17 (2008) Article DOI: 10.1016/j.bmc.2008.04.035 BindingDB Entry DOI: 10.7270/Q270817C
					More data for this Ligand-Target Pair