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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'kandale' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50381089
PNG
(CHEMBL2017531)
Show SMILES CC1(C)Cc2cnn(c2-c2cc(Br)ccc12)-c1ccccc1
Show InChI InChI=1S/C19H17BrN2/c1-19(2)11-13-12-21-22(15-6-4-3-5-7-15)18(13)16-10-14(20)8-9-17(16)19/h3-10,12H,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.57E+3n/an/an/an/an/an/a



CiVentiChem (India) Private Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged PDE4B expressed in Sf9 cells using cAMP as substrate preincubated for 15 mins prior substrate addition measured ...


Bioorg Med Chem Lett 22: 3248-55 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.029
BindingDB Entry DOI: 10.7270/Q2G44R90
More data for this
Ligand-Target Pair
Intracellular chorismate mutase


(Mycobacterium tuberculosis)
BDBM50390439
PNG
(CHEMBL2071368)
Show SMILES COc1cccc(c1)-n1cnc2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C17H16N2O2S/c1-21-12-6-4-5-11(9-12)19-10-18-16-15(17(19)20)13-7-2-3-8-14(13)22-16/h4-6,9-10H,2-3,7-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.98E+4n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry


Bioorg Med Chem 20: 5127-38 (2012)


Article DOI: 10.1016/j.bmc.2012.07.011
BindingDB Entry DOI: 10.7270/Q21837KB
More data for this
Ligand-Target Pair
Intracellular chorismate mutase


(Mycobacterium tuberculosis)
BDBM50390440
PNG
(CHEMBL2071373)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)sc1ncn(-c3cccc(C=O)c3)c(=O)c21
Show InChI InChI=1S/C21H21N3O4S/c1-21(2,3)28-20(27)23-8-7-15-16(10-23)29-18-17(15)19(26)24(12-22-18)14-6-4-5-13(9-14)11-25/h4-6,9,11-12H,7-8,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.39E+4n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry


Bioorg Med Chem 20: 5127-38 (2012)


Article DOI: 10.1016/j.bmc.2012.07.011
BindingDB Entry DOI: 10.7270/Q21837KB
More data for this
Ligand-Target Pair