Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50008268   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 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 BindingDB Entry DOI: 10.7270/Q2GF0XVT
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50517246 (CHEMBL4557434) Show SMILES Cc1noc(c1CNC(=O)OCc1cccc(F)c1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI InChI=1S/C25H26FN3O6/c1-15-21(13-28-25(32)33-14-16-4-2-6-18(26)10-16)23(35-29-15)22-9-8-20(12-27-22)34-19-7-3-5-17(11-19)24(30)31/h2,4,6,8-10,12,17,19H,3,5,7,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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 BindingDB Entry DOI: 10.7270/Q2GF0XVT
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50517245 (CHEMBL4442819) Show SMILES Cc1noc(c1CNC(=O)OCc1ccc(F)cc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI InChI=1S/C25H26FN3O6/c1-15-21(13-28-25(32)33-14-16-5-7-18(26)8-6-16)23(35-29-15)22-10-9-20(12-27-22)34-19-4-2-3-17(11-19)24(30)31/h5-10,12,17,19H,2-4,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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 BindingDB Entry DOI: 10.7270/Q2GF0XVT
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50517244 (CHEMBL4448922) Show SMILES Cc1noc(c1CNC(=O)OCc1cc(F)cc(F)c1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI InChI=1S/C25H25F2N3O6/c1-14-21(12-29-25(33)34-13-15-7-17(26)10-18(27)8-15)23(36-30-14)22-6-5-20(11-28-22)35-19-4-2-3-16(9-19)24(31)32/h5-8,10-11,16,19H,2-4,9,12-13H2,1H3,(H,29,33)(H,31,32)/t16-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 BindingDB Entry DOI: 10.7270/Q2GF0XVT
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50517248 (CHEMBL4476814) Show SMILES Cc1noc(c1CNC(=O)OCc1ccc(Cl)cc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H27ClN2O6/c1-16-23(14-28-26(32)33-15-17-5-9-20(27)10-6-17)24(35-29-16)18-7-11-21(12-8-18)34-22-4-2-3-19(13-22)25(30)31/h5-12,19,22H,2-4,13-15H2,1H3,(H,28,32)(H,30,31)/t19-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	227	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 BindingDB Entry DOI: 10.7270/Q2GF0XVT
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50517243 (CHEMBL4472223) Show SMILES Cc1noc(c1CNS(=O)(=O)Cc1ccccc1)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-16-21(14-26-35(31,32)15-18-7-4-3-5-8-18)24(34-28-16)22-11-12-23(17(2)27-22)33-20-10-6-9-19(13-20)25(29)30/h3-5,7-8,11-12,19-20,26H,6,9-10,13-15H2,1-2H3,(H,29,30)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	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 BindingDB Entry DOI: 10.7270/Q2GF0XVT
					More data for this Ligand-Target Pair