BDBM22580 47729-M::5-chloro-2-{5-hydroxy-3-methyl-4-[(E)-2-[4-(4-methylphenoxysulfonyl)phenyl]diazen-1-yl]-1H-pyrazol-1-yl}benzene-1-sulfonic acid::CHEMBL222187

SMILES: Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1

InChI Key: InChIKey=GLZWPCJHUUYXGY-UHFFFAOYSA-N

Data: 2 IC50

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 = 22580   

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
AICAR transformylase (Homo sapiens (Human))	BDBM22580 (47729-M | 5-chloro-2-{5-hydroxy-3-methyl-4-[(E)-2-...) Show SMILES Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1 |w:18.19| Show InChI InChI=1S/C23H19ClN4O7S2/c1-14-3-8-18(9-4-14)35-37(33,34)19-10-6-17(7-11-19)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,27H,1-2H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human AICAR Tfase				J Med Chem 47: 6681-90 (2004) Article DOI: 10.1021/jm049504o BindingDB Entry DOI: 10.7270/Q2PZ589Q
					More data for this Ligand-Target Pair
AICAR Tfase (Homo sapiens (Human))	BDBM22580 (47729-M | 5-chloro-2-{5-hydroxy-3-methyl-4-[(E)-2-...) Show SMILES Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1 |w:18.19| Show InChI InChI=1S/C23H19ClN4O7S2/c1-14-3-8-18(9-4-14)35-37(33,34)19-10-6-17(7-11-19)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,27H,1-2H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	7.5	22
The Scripps Research Institute					Assay Description The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...				J Biol Chem 279: 50555-65 (2004) Article DOI: 10.1074/jbc.M406801200 BindingDB Entry DOI: 10.7270/Q2MC8X97
					More data for this Ligand-Target Pair