BDBM50539042 CHEMBL4646737

SMILES: OP(O)(=O)OC[C@@H](CBr)OC(=O)CCCCCCCCCc1ccccc1

InChI Key: InChIKey=IHTMTVSBHMPLJC-GOSISDBHSA-N

Data: 1 Kd  1 EC50

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 = 50539042   

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))	BDBM50539042 (CHEMBL4646737) Show SMILES OP(O)(=O)OC[C@@H](CBr)OC(=O)CCCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C19H30BrO6P/c20-15-18(16-25-27(22,23)24)26-19(21)14-10-5-3-1-2-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13,18H,1-5,7,10-11,14-16H2,(H2,22,23,24)/t18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Binding affinity to LPA1 receptor (unknown origin) by cell-based backscattering interferometry				J Med Chem 63: 2372-2390 (2020)
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50539042 (CHEMBL4646737) Show SMILES OP(O)(=O)OC[C@@H](CBr)OC(=O)CCCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C19H30BrO6P/c20-15-18(16-25-27(22,23)24)26-19(21)14-10-5-3-1-2-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13,18H,1-5,7,10-11,14-16H2,(H2,22,23,24)/t18-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Agonist activity at LPA1 receptor (unknown origin) stably expressed in rat RH7777 cells assessed as increase in intracellular calcium level by Fluo-4...				J Med Chem 63: 2372-2390 (2020)
					More data for this Ligand-Target Pair