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SMILES: COC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3cc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1

InChI Key: InChIKey=WVSXMOPMPWDBBI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50504750   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50504750
PNG
(CHEMBL4536202)
Show SMILES COC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3cc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H18N6O7S2/c1-40-26(35)24-30-32(17-8-10-19(11-9-17)42(28,38)39)27-29-21-14-16(22-3-2-12-41-22)13-20(23(21)25(34)31(24)27)15-4-6-18(7-5-15)33(36)37/h2-14H,1H3,(H2,28,38,39)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
 0.160n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111843
BindingDB Entry DOI: 10.7270/Q2WW7N05
More data for this
Ligand-Target Pair