BDBM50433845 CHEMBL2382400

SMILES: NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1

InChI Key: InChIKey=AVLZXGPNSNUAOM-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 = 50433845   

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))	BDBM50433845 (CHEMBL2382400) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H15N5O4S2/c20-10-15-17(12-4-2-1-3-5-12)23-19(24-18(15)26)29-11-16(25)22-13-6-8-14(9-7-13)30(21,27)28/h1-9H,11H2,(H,22,25)(H2,21,27,28)(H,23,24,26)	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	1.21E+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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50433845 (CHEMBL2382400) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H15N5O4S2/c20-10-15-17(12-4-2-1-3-5-12)23-19(24-18(15)26)29-11-16(25)22-13-6-8-14(9-7-13)30(21,27)28/h1-9H,11H2,(H,22,25)(H2,21,27,28)(H,23,24,26)	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	1.54E+4	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))	BDBM50433845 (CHEMBL2382400) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 Show InChI InChI=1S/C19H15N5O4S2/c20-10-15-17(12-4-2-1-3-5-12)23-19(24-18(15)26)29-11-16(25)22-13-6-8-14(9-7-13)30(21,27)28/h1-9H,11H2,(H,22,25)(H2,21,27,28)(H,23,24,26)	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	4.28E+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 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