BDBM50373826 CHEMBL256470

SMILES: C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12

InChI Key: InChIKey=BPRNMVDTWIHULJ-AWEZNQCLSA-N

Data: 4 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 4 hits for monomerid = 50373826   

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 Edg-4 (Homo sapiens (Human))	BDBM50373826 (CHEMBL256470) Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12 Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay				Bioorg Med Chem Lett 18: 1037-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.024 BindingDB Entry DOI: 10.7270/Q2JQ11W8
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5) (Homo sapiens (Human))	BDBM50373826 (CHEMBL256470) Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12 Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins				Bioorg Med Chem Lett 22: 5239-43 (2012) Article DOI: 10.1016/j.bmcl.2012.06.057 BindingDB Entry DOI: 10.7270/Q2J1047Q
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human))	BDBM50373826 (CHEMBL256470) Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12 Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay				Bioorg Med Chem Lett 18: 1037-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.024 BindingDB Entry DOI: 10.7270/Q2JQ11W8
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50373826 (CHEMBL256470) Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ncnc2c(C)csc12 Show InChI InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay				Bioorg Med Chem Lett 18: 1037-41 (2008) Article DOI: 10.1016/j.bmcl.2007.12.024 BindingDB Entry DOI: 10.7270/Q2JQ11W8
					More data for this Ligand-Target Pair