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SMILES: Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O

InChI Key: InChIKey=GKWMKPPUPBLQAN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50249796   
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 topoisomerase 4 subunit A/B


(Staphylococcus aureus)
BDBM50249796
PNG
(CHEMBL4752072)
Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


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


(Escherichia coli (strain K12))
BDBM50249796
PNG
(CHEMBL4752072)
Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9.90n/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
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50249796
PNG
(CHEMBL4752072)
Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 99n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair