BDBM95116 (3E)-3-(3-chloranyl-4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3E)-3-(3-chloro-4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-4-(3-methoxyphenyl)-5-(3-pyridinylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3E)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3E)-3-(3-chloro-6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)-4-(3-methoxyphenyl)-5-(3-pyridylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::3-(5-Chloro-2-hydroxy-4-methyl-phenyl)-4-(3-methoxy-phenyl)-5-pyridin-3-ylmethyl-4,5-dihydro-1H-pyrro lo[3,4-c]pyrazol-6-one::MLS000552079::SMR000145804::cid_9551643

SMILES: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2[nH]nc(c12)-c1cc(Cl)c(C)cc1O

InChI Key: InChIKey=HCLBEDXJIRRWMK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 95116   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Probable nicotinate-nucleotide adenylyltransferase (Staphylococcus aureus subsp. aureus N315)	BDBM95116 (3-(5-Chloro-2-hydroxy-4-methyl-phenyl)-4-(3-methox...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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