BDBM50285779 CHEMBL4165205

SMILES: COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1

InChI Key: InChIKey=USAXUWZJQPBEDO-ABYGYWHVSA-N

Data: 3 IC50  7 Kd

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 10 hits for monomerid = 50285779   

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))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed...				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 0.5 hrs by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs at room temperature by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs at 4 degC by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 4 hrs by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs at 37 degC by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed...				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human LPA1 expressed in CHO cells assessed as reduction in LPA-induced intracellular calcium level pretreated foll...				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 1 hr by scintillation counting method				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair