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BDBM50096604 CHEMBL3577290

SMILES: OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O

InChI Key: InChIKey=VVKCJZLVMZAHBK-BEFAXECRSA-N

Data: 1 KI  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50096604   
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 polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096604
PNG
(CHEMBL3577290)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

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Similars

PDB
Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


J Med Chem 58: 4693-702 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096604
PNG
(CHEMBL3577290)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA sliding clamp protein at 298K by isothermal titration calorimetry


J Med Chem 58: 4693-702 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase III subunit beta


(Escherichia coli (strain K12))
BDBM50096604
PNG
(CHEMBL3577290)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2C[C@@H](CCc2c2cc(Br)ccc12)C(O)=O
Show InChI InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



The University of Wollongong and The Illawarra Health and Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay


J Med Chem 58: 4693-702 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)