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SMILES: CCn1cc(C(O)=O)c(=O)c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc12

InChI Key: InChIKey=WRCBUWZHGOJKHN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50249802   
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
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50249802
PNG
(CHEMBL4791182)
Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc12
Show InChI InChI=1S/C21H21N3O4S/c1-13(2)17-11-15-10-16(6-7-18(15)24(3)21(17)25)23-29(26,27)20-8-5-14(12-22)9-19(20)28-4/h5-11,13,23H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50249802
PNG
(CHEMBL4791182)
Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc12
Show InChI InChI=1S/C21H21N3O4S/c1-13(2)17-11-15-10-16(6-7-18(15)24(3)21(17)25)23-29(26,27)20-8-5-14(12-22)9-19(20)28-4/h5-11,13,23H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm


Citation and Details
More data for this
Ligand-Target Pair