BDBM50517247 CHEMBL4442789

SMILES: Cc1noc(c1CNS(=O)(=O)CCc1ccccc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1

InChI Key: InChIKey=QKSJVTLSJOQVME-PMACEKPBSA-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 = 50517247   

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 1 (Homo sapiens (Human))	BDBM50517247 (CHEMBL4442789) Show SMILES Cc1noc(c1CNS(=O)(=O)CCc1ccccc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-17-22(16-27-35(31,32)13-12-18-6-3-2-4-7-18)24(34-28-17)23-11-10-21(15-26-23)33-20-9-5-8-19(14-20)25(29)30/h2-4,6-7,10-11,15,19-20,27H,5,8-9,12-14,16H2,1H3,(H,29,30)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab, LLC Curated by ChEMBL					Assay Description Antagonist activity at human LPA1 expressed in CHO cells assessed as reduction in LPA-induced calcium influx incubated for 20 mins				ACS Med Chem Lett 10: 1378-1379 (2019) Article DOI: 10.1021/acsmedchemlett.9b00429
					More data for this Ligand-Target Pair