BDBM50243477 CHEMBL4092503

SMILES: O=c1[nH]ccc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc12

InChI Key: InChIKey=SGMOXFPDJMEPRG-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50243477   

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
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50243477 (CHEMBL4092503) Show SMILES O=c1[nH]ccc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc12 Show InChI InChI=1S/C16H11N3O3S/c17-10-11-1-5-14(6-2-11)23(21,22)19-13-4-3-12-7-8-18-16(20)15(12)9-13/h1-9,19H,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged AICARFT expressed in Escherichia coli BL21 (DE3) using ZMP/10-formyltetrahydrofolate as substra...				J Med Chem 60: 9599-9616 (2017) Article DOI: 10.1021/acs.jmedchem.7b01046 BindingDB Entry DOI: 10.7270/Q2222X6J
					More data for this Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50243477 (CHEMBL4092503) Show SMILES O=c1[nH]ccc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc12 Show InChI InChI=1S/C16H11N3O3S/c17-10-11-1-5-14(6-2-11)23(21,22)19-13-4-3-12-7-8-18-16(20)15(12)9-13/h1-9,19H,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	567	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method				J Med Chem 60: 9599-9616 (2017) Article DOI: 10.1021/acs.jmedchem.7b01046 BindingDB Entry DOI: 10.7270/Q2222X6J
					More data for this Ligand-Target Pair