BDBM50433834 CHEMBL2382339

SMILES: Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1

InChI Key: InChIKey=LLJNPURKRDSUGG-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50433834   

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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50433834 (CHEMBL2382339) Show SMILES Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H12Cl2N4O2S/c20-12-3-1-11(2-4-12)17-15(9-22)18(27)25-19(24-17)28-10-16(26)23-14-7-5-13(21)6-8-14/h1-8H,10H2,(H,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.70E+5	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50433834 (CHEMBL2382339) Show SMILES Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H12Cl2N4O2S/c20-12-3-1-11(2-4-12)17-15(9-22)18(27)25-19(24-17)28-10-16(26)23-14-7-5-13(21)6-8-14/h1-8H,10H2,(H,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50433834 (CHEMBL2382339) Show SMILES Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H12Cl2N4O2S/c20-12-3-1-11(2-4-12)17-15(9-22)18(27)25-19(24-17)28-10-16(26)23-14-7-5-13(21)6-8-14/h1-8H,10H2,(H,23,26)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.57E+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 (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair