Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'hitz' and Initial = 'a'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220232 ((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...) Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG				Bioorg Med Chem Lett 17: 5300-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597908 (CHEMBL5181496) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597908 (CHEMBL5181496) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597906 (CHEMBL5183539) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597915 (CHEMBL5185237) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597915 (CHEMBL5185237) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597916 (CHEMBL5201115) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597916 (CHEMBL5201115) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597916 (CHEMBL5201115) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597916 (CHEMBL5201115) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Oc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597896 (CHEMBL5181996) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1ccccc1O |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597896 (CHEMBL5181996) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1ccccc1O |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597915 (CHEMBL5185237) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597913 (CHEMBL5194549) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597913 (CHEMBL5194549) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597915 (CHEMBL5185237) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccc(cc1)N1CCOCC1)c1cccc(Nc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597909 (CHEMBL5196929) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597909 (CHEMBL5196929) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597908 (CHEMBL5181496) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597908 (CHEMBL5181496) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCCCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597905 (CHEMBL5182266) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597904 (CHEMBL5176448) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cn2)c1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597905 (CHEMBL5182266) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597904 (CHEMBL5176448) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cn2)c1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534318 (CHEMBL4576717) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |c:1| Show InChI InChI=1S/C27H20ClFN2O2S2/c28-22-6-1-2-7-24(22)35-25-23(32)15-27(31-26(25)33,18-12-13-34-16-18)17-4-3-5-21(14-17)30-20-10-8-19(29)9-11-20/h1-14,16,30,32H,15H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM197160 (GNE-140 (6)) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech					Assay Description LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...				Nat Chem Biol 12: 779-86 (2016) Article DOI: 10.1038/nchembio.2143 BindingDB Entry DOI: 10.7270/Q2W95800
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM197160 (GNE-140 (6)) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597907 (CHEMBL5189879) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597914 (CHEMBL5188480) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2cccc3ncccc23)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597914 (CHEMBL5188480) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2cccc3ncccc23)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597902 (CHEMBL5177632) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)O[C@@](C1)(c1ccsc1)c1cccc(Nc2ccc(F)cc2)c1 |r,c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534305 (CHEMBL4435570) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(NC2CCCCC2)c1 |c:1| Show InChI InChI=1S/C27H27ClN2O2S2/c28-22-11-4-5-12-24(22)34-25-23(31)16-27(30-26(25)32,19-13-14-33-17-19)18-7-6-10-21(15-18)29-20-8-2-1-3-9-20/h4-7,10-15,17,20,29,31H,1-3,8-9,16H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM197160 (GNE-140 (6)) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech					Assay Description LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-37...				Nat Chem Biol 12: 779-86 (2016) Article DOI: 10.1038/nchembio.2143 BindingDB Entry DOI: 10.7270/Q2W95800
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534309 (CHEMBL4467769) Show SMILES CC(=O)N1CCN(CC1)c1ccc(cc1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)N1)c1ccsc1 |t:20| Show InChI InChI=1S/C27H26ClN3O3S2/c1-18(32)30-11-13-31(14-12-30)21-8-6-19(7-9-21)27(20-10-15-35-17-20)16-23(33)25(26(34)29-27)36-24-5-3-2-4-22(24)28/h2-10,15,17,33H,11-14,16H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM197160 (GNE-140 (6)) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534323 (CHEMBL4444963) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCC1 |c:1| Show InChI InChI=1S/C25H23ClN2O2S2/c26-20-5-1-2-6-22(20)32-23-21(29)15-25(27-24(23)30,18-11-14-31-16-18)17-7-9-19(10-8-17)28-12-3-4-13-28/h1-2,5-11,14,16,29H,3-4,12-13,15H2,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597909 (CHEMBL5196929) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597909 (CHEMBL5196929) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597912 (CHEMBL5196259) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NCc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597912 (CHEMBL5196259) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NCc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597898 (CHEMBL5172378) Show SMILES Nc1cccc(c1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccsc1 |t:11| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597898 (CHEMBL5172378) Show SMILES Nc1cccc(c1)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccsc1 |t:11| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534304 (CHEMBL4545064) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(NC2CCOCC2)c1 |c:1| Show InChI InChI=1S/C26H25ClN2O3S2/c27-21-6-1-2-7-23(21)34-24-22(30)15-26(29-25(24)31,18-10-13-33-16-18)17-4-3-5-20(14-17)28-19-8-11-32-12-9-19/h1-7,10,13-14,16,19,28,30H,8-9,11-12,15H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534334 (CHEMBL4436150) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |c:1| Show InChI InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534330 (CHEMBL4520899) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCCCC1 |c:1| Show InChI InChI=1S/C26H25ClN2O2S2/c27-21-6-2-3-7-23(21)33-24-22(30)16-26(28-25(24)31,19-12-15-32-17-19)18-8-10-20(11-9-18)29-13-4-1-5-14-29/h2-3,6-12,15,17,30H,1,4-5,13-14,16H2,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597913 (CHEMBL5194549) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597913 (CHEMBL5194549) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(Nc2ccc(F)c(F)c2)n1)c1cccc(Oc2ccccc2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50597906 (CHEMBL5183539) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)N[C@](C1)(c1cccc(Nc2ccc(F)cc2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |r,c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50534331 (CHEMBL4475593) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCC(CC1)C#N |c:1| Show InChI InChI=1S/C27H24ClN3O2S2/c28-22-3-1-2-4-24(22)35-25-23(32)15-27(30-26(25)33,20-11-14-34-17-20)19-5-7-21(8-6-19)31-12-9-18(16-29)10-13-31/h1-8,11,14,17-18,32H,9-10,12-13,15H2,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				ACS Med Chem Lett 7: 896-901 (2016) Article DOI: 10.1021/acsmedchemlett.6b00190 BindingDB Entry DOI: 10.7270/Q2V40ZP9
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50597910 (CHEMBL5202219) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128576 BindingDB Entry DOI: 10.7270/Q2251P69
					More data for this Ligand-Target Pair

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