Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50045994   

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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089931 (CHEMBL3581197) Show SMILES C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089926 (CHEMBL3581201) Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C22H19Cl2NO4S/c1-11(2)29-18-6-5-15(23)20(21(18)24)13-7-16(27)22(17(28)8-13)30-19-9-14(26)4-3-12(19)10-25/h3-6,9,11,13,26-27H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089927 (CHEMBL3581200) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:9| Show InChI InChI=1S/C22H21Cl3O4S/c1-11(2)29-18-7-6-15(24)20(21(18)25)12-8-16(26)22(17(27)9-12)30-19-10-13(28-3)4-5-14(19)23/h4-7,10-12,26H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089929 (CHEMBL3581205) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1 |c:9| Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089923 (CHEMBL3581204) Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089928 (CHEMBL3581199) Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3Cl)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C21H19Cl3O4S/c1-10(2)28-17-6-5-14(23)19(20(17)24)11-7-15(26)21(16(27)8-11)29-18-9-12(25)3-4-13(18)22/h3-6,9-11,25-26H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089924 (CHEMBL3581203) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccncc2)c1 |c:9| Show InChI InChI=1S/C24H18Cl3NO3S/c1-31-15-2-4-17(25)21(12-15)32-24-19(29)10-14(11-20(24)30)22-18(26)5-3-16(23(22)27)13-6-8-28-9-7-13/h2-9,12,14,29H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089934 (CHEMBL3581194) Show SMILES COC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:12| Show InChI InChI=1S/C21H17Cl3O4S/c1-28-19(27)8-11-5-6-13(22)18(7-11)29-21-16(25)9-12(10-17(21)26)20-14(23)3-2-4-15(20)24/h2-7,12,25H,8-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089946 (CHEMBL3581182) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1Cl |c:1| Show InChI InChI=1S/C24H16Cl4O2S/c25-16-6-2-1-5-14(16)15-9-10-18(27)22(23(15)28)13-11-19(29)24(20(30)12-13)31-21-8-4-3-7-17(21)26/h1-10,13,29H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089949 (CHEMBL3581179) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(NC2CCOCC2)c1Cl |c:1| Show InChI InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089944 (CHEMBL3581184) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccncc1 |c:1| Show InChI InChI=1S/C23H16Cl3NO2S/c24-16-3-1-2-4-20(16)30-23-18(28)11-14(12-19(23)29)21-17(25)6-5-15(22(21)26)13-7-9-27-10-8-13/h1-10,14,28H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089930 (CHEMBL3581198) Show SMILES C[C@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089948 (CHEMBL3581180) Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C21H19Cl3O3S/c1-11(2)27-17-8-7-14(23)19(20(17)24)12-9-15(25)21(16(26)10-12)28-18-6-4-3-5-13(18)22/h3-8,11-12,25H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089951 (CHEMBL3581177) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl |t:19| Show InChI InChI=1S/C24H23Cl3N2O3S/c1-14(30)28-8-10-29(11-9-28)18-7-6-17(26)22(23(18)27)15-12-19(31)24(20(32)13-15)33-21-5-3-2-4-16(21)25/h2-7,15,31H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089947 (CHEMBL3581181) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1 |c:1| Show InChI InChI=1S/C24H17Cl3O2S/c25-17-8-4-5-9-21(17)30-24-19(28)12-15(13-20(24)29)22-18(26)11-10-16(23(22)27)14-6-2-1-3-7-14/h1-11,15,28H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089945 (CHEMBL3581183) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1cccnc1 |c:1| Show InChI InChI=1S/C23H16Cl3NO2S/c24-16-5-1-2-6-20(16)30-23-18(28)10-14(11-19(23)29)21-17(25)8-7-15(22(21)26)13-4-3-9-27-12-13/h1-9,12,14,28H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089932 (CHEMBL3581196) Show SMILES CC(C)OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:14| Show InChI InChI=1S/C23H21Cl3O4S/c1-12(2)30-21(29)9-13-6-7-15(24)20(8-13)31-23-18(27)10-14(11-19(23)28)22-16(25)4-3-5-17(22)26/h3-8,12,14,27H,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089923 (CHEMBL3581204) Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089942 (CHEMBL3581186) Show SMILES OC1=C(Sc2cc(O)ccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1| Show InChI InChI=1S/C18H13Cl3O3S/c19-11-5-4-10(22)8-16(11)25-18-14(23)6-9(7-15(18)24)17-12(20)2-1-3-13(17)21/h1-5,8-9,22-23H,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089933 (CHEMBL3581195) Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:13| Show InChI InChI=1S/C22H19Cl3O4S/c1-2-29-20(28)9-12-6-7-14(23)19(8-12)30-22-17(26)10-13(11-18(22)27)21-15(24)4-3-5-16(21)25/h3-8,13,26H,2,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089926 (CHEMBL3581201) Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C22H19Cl2NO4S/c1-11(2)29-18-6-5-15(23)20(21(18)24)13-7-16(27)22(17(28)8-13)30-19-9-14(26)4-3-12(19)10-25/h3-6,9,11,13,26-27H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089950 (CHEMBL3581178) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCNCC2)c1Cl |c:1| Show InChI InChI=1S/C22H21Cl3N2O2S/c23-14-3-1-2-4-19(14)30-22-17(28)11-13(12-18(22)29)20-15(24)5-6-16(21(20)25)27-9-7-26-8-10-27/h1-6,13,26,28H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089939 (CHEMBL3581189) Show SMILES CNc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:9| Show InChI InChI=1S/C19H16Cl3NO2S/c1-23-11-5-6-12(20)17(9-11)26-19-15(24)7-10(8-16(19)25)18-13(21)3-2-4-14(18)22/h2-6,9-10,23-24H,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089928 (CHEMBL3581199) Show SMILES CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3Cl)C(=O)C2)c1Cl |t:13| Show InChI InChI=1S/C21H19Cl3O4S/c1-10(2)28-17-6-5-14(23)19(20(17)24)11-7-15(26)21(16(27)8-11)29-18-9-12(25)3-4-13(18)22/h3-6,9-11,25-26H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089924 (CHEMBL3581203) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccncc2)c1 |c:9| Show InChI InChI=1S/C24H18Cl3NO3S/c1-31-15-2-4-17(25)21(12-15)32-24-19(29)10-14(11-20(24)30)22-18(26)5-3-16(23(22)27)13-6-8-28-9-7-13/h2-9,12,14,29H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089953 (CHEMBL3581175) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl |c:1| Show InChI InChI=1S/C25H25Cl3N2O2S/c26-17-3-1-2-4-22(17)33-25-20(31)13-15(14-21(25)32)23-18(27)7-8-19(24(23)28)30-11-9-29(10-12-30)16-5-6-16/h1-4,7-8,15-16,31H,5-6,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089955 (CHEMBL3581173) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCOCC2)c1Cl |c:1| Show InChI InChI=1S/C22H20Cl3NO3S/c23-14-3-1-2-4-19(14)30-22-17(27)11-13(12-18(22)28)20-15(24)5-6-16(21(20)25)26-7-9-29-10-8-26/h1-6,13,27H,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089935 (CHEMBL3581193) Show SMILES OCCNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:14| Show InChI InChI=1S/C22H20Cl3NO4S/c23-14-5-4-12(9-20(30)26-6-7-27)8-19(14)31-22-17(28)10-13(11-18(22)29)21-15(24)2-1-3-16(21)25/h1-5,8,13,27-28H,6-7,9-11H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089952 (CHEMBL3581176) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2COC2)c1Cl |c:1| Show InChI InChI=1S/C25H25Cl3N2O3S/c26-17-3-1-2-4-22(17)34-25-20(31)11-15(12-21(25)32)23-18(27)5-6-19(24(23)28)30-9-7-29(8-10-30)16-13-33-14-16/h1-6,15-16,31H,7-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089941 (CHEMBL3581187) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:9| Show InChI InChI=1S/C19H15Cl3O3S/c1-25-11-5-6-12(20)17(9-11)26-19-15(23)7-10(8-16(19)24)18-13(21)3-2-4-14(18)22/h2-6,9-10,23H,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089927 (CHEMBL3581200) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:9| Show InChI InChI=1S/C22H21Cl3O4S/c1-11(2)29-18-7-6-15(24)20(21(18)25)12-8-16(26)22(17(27)9-12)30-19-10-13(28-3)4-5-14(19)23/h4-7,10-12,26H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089925 (CHEMBL3581202) Show SMILES COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:10| Show InChI InChI=1S/C23H21Cl2NO4S/c1-12(2)30-19-7-6-16(24)21(22(19)25)14-8-17(27)23(18(28)9-14)31-20-10-15(29-3)5-4-13(20)11-26/h4-7,10,12,14,27H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089929 (CHEMBL3581205) Show SMILES COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1 |c:9| Show InChI InChI=1S/C24H24Cl3NO4S/c1-31-15-2-3-16(25)21(12-15)33-24-19(29)10-13(11-20(24)30)22-17(26)4-5-18(23(22)27)28-14-6-8-32-9-7-14/h2-5,12-14,28-29H,6-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089940 (CHEMBL3581188) Show SMILES Nc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:8| Show InChI InChI=1S/C18H14Cl3NO2S/c19-11-5-4-10(22)8-16(11)25-18-14(23)6-9(7-15(18)24)17-12(20)2-1-3-13(17)21/h1-5,8-9,23H,6-7,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50052254 (2',6'-dichloro-4-((2-chlorophenyl)thio)-5-...) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1| Show InChI InChI=1S/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089943 (CHEMBL3581185) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1cncnc1 |c:1| Show InChI InChI=1S/C22H15Cl3N2O2S/c23-15-3-1-2-4-19(15)30-22-17(28)7-12(8-18(22)29)20-16(24)6-5-14(21(20)25)13-9-26-11-27-10-13/h1-6,9-12,28H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089937 (CHEMBL3581191) Show SMILES CNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:12| Show InChI InChI=1S/C21H18Cl3NO3S/c1-25-19(28)8-11-5-6-13(22)18(7-11)29-21-16(26)9-12(10-17(21)27)20-14(23)3-2-4-15(20)24/h2-7,12,26H,8-10H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50089925 (CHEMBL3581202) Show SMILES COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:10| Show InChI InChI=1S/C23H21Cl2NO4S/c1-12(2)30-19-7-6-16(24)21(22(19)25)14-8-17(27)23(18(28)9-14)31-20-10-15(29-3)5-4-13(20)11-26/h4-7,10,12,14,27H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LDH-B (unknown origin)				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089954 (CHEMBL3581174) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cc(cc1Cl)N1CCOCC1 |c:1| Show InChI InChI=1S/C22H20Cl3NO3S/c23-15-3-1-2-4-20(15)30-22-18(27)9-13(10-19(22)28)21-16(24)11-14(12-17(21)25)26-5-7-29-8-6-26/h1-4,11-13,27H,5-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089938 (CHEMBL3581190) Show SMILES OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:11| Show InChI InChI=1S/C20H15Cl3O4S/c21-12-5-4-10(7-18(26)27)6-17(12)28-20-15(24)8-11(9-16(20)25)19-13(22)2-1-3-14(19)23/h1-6,11,24H,7-9H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50089936 (CHEMBL3581192) Show SMILES CN(C)C(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:13| Show InChI InChI=1S/C22H20Cl3NO3S/c1-26(2)20(29)9-12-6-7-14(23)19(8-12)30-22-17(27)10-13(11-18(22)28)21-15(24)4-3-5-16(21)25/h3-8,13,27H,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair