Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50527803'   

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))	BDBM50527803 (CHEMBL4557180) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r| Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Competitive binding affinity to human N-terminal His6-tagged LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as protein-compound interacti...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955 BindingDB Entry DOI: 10.7270/Q2TB1BCZ
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50527803 (CHEMBL4557180) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r| Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.72E+5	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His6-tagged human LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as induction of protein disruption ...				J Med Chem 63: 4628-4643 (2020) Article DOI: 10.1021/acs.jmedchem.9b01955 BindingDB Entry DOI: 10.7270/Q2TB1BCZ
					More data for this Ligand-Target Pair