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Compile Data Set for Download or QSAR

Found 2 hits of non-affinity data for polymerid = 1072   
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
Caspase-3


(Homo sapiens (human))
BDBM35211
PNG
(pyrimidoindolone, 19b)
Show SMILES COC[C@@H]1CCCN1C(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1
Show InChI InChI=1S/C20H25N3O3/c1-20(2)11-21-18-17(24)15-9-13(6-7-16(15)23(18)12-20)19(25)22-8-4-5-14(22)10-26-3/h6-7,9,14H,4-5,8,10-12H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.223



Wyeth Research



Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ...


Bioorg Med Chem 17: 7755-68 (2009)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM35210
PNG
(pyrimidoindolone, 19a)
Show SMILES CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)C(=O)N1CCC[C@H]1COc1ccccc1
Show InChI InChI=1S/C25H27N3O3/c1-25(2)15-26-23-22(29)20-13-17(10-11-21(20)28(23)16-25)24(30)27-12-6-7-18(27)14-31-19-8-4-3-5-9-19/h3-5,8-11,13,18H,6-7,12,14-16H2,1-2H3/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/an/an/an/a7.223



Wyeth Research



Assay Description
Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the ...


Bioorg Med Chem 17: 7755-68 (2009)

More data for this
Ligand-Target Pair