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4 similar compounds to monomer 27525

Compile data set for download or QSAR
Wt: 420.4
BDBM27526
Wt: 430.5
BDBM27527
Wt: 457.5
BDBM27528
Wt: 454.5
BDBM27532

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 27526,27527,27528,27532   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27526
PNG
(N-[3-(1H-imidazol-1-yl)propyl]-8-oxo-9-azatetracyc...)
Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCn2ccnc2)c2ccccc12
Show InChI InChI=1S/C22H20N4O3S/c27-22-19-5-2-1-4-18(19)20-13-15-12-16(6-7-17(15)21(20)25-22)30(28,29)24-8-3-10-26-11-9-23-14-26/h1-2,4-7,9,11-12,14,24H,3,8,10,13H2,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 394n/an/an/an/a8.022



Inotek Pharmaceuticals Corporation



Assay Description
The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (...


J Med Chem 48: 5100-3 (2005)


Article DOI: 10.1021/jm0502891
BindingDB Entry DOI: 10.7270/Q2GF0RT9
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27532
PNG
(4-methyl-4-[3-({8-oxo-9-azatetracyclo[8.7.0.0^{2,7...)
Show SMILES C[N+]1(CCCNS(=O)(=O)c2ccc-3c(Cc4c-3[nH]c(=O)c3ccccc43)c2)CCOCC1
Show InChI InChI=1S/C24H27N3O4S/c1-27(11-13-31-14-12-27)10-4-9-25-32(29,30)18-7-8-19-17(15-18)16-22-20-5-2-3-6-21(20)24(28)26-23(19)22/h2-3,5-8,15,25H,4,9-14,16H2,1H3/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/a8.022



Inotek Pharmaceuticals Corporation



Assay Description
The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (...


J Med Chem 48: 5100-3 (2005)


Article DOI: 10.1021/jm0502891
BindingDB Entry DOI: 10.7270/Q2GF0RT9
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27528
PNG
(13-fluoro-N-[3-(morpholin-4-yl)propyl]-8-oxo-9-aza...)
Show SMILES Fc1cc-2c(Cc3c-2[nH]c(=O)c2ccccc32)cc1S(=O)(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C23H24FN3O4S/c24-20-14-18-15(12-19-16-4-1-2-5-17(16)23(28)26-22(18)19)13-21(20)32(29,30)25-6-3-7-27-8-10-31-11-9-27/h1-2,4-5,13-14,25H,3,6-12H2,(H,26,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/a8.022



Inotek Pharmaceuticals Corporation



Assay Description
The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (...


J Med Chem 48: 5100-3 (2005)


Article DOI: 10.1021/jm0502891
BindingDB Entry DOI: 10.7270/Q2GF0RT9
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27527
PNG
(8-oxo-N-(3-phenylpropyl)-9-azatetracyclo[8.7.0.0^{...)
Show SMILES O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H22N2O3S/c28-25-22-11-5-4-10-21(22)23-16-18-15-19(12-13-20(18)24(23)27-25)31(29,30)26-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15,26H,6,9,14,16H2,(H,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/a8.022



Inotek Pharmaceuticals Corporation



Assay Description
The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (...


J Med Chem 48: 5100-3 (2005)


Article DOI: 10.1021/jm0502891
BindingDB Entry DOI: 10.7270/Q2GF0RT9
More data for this
Ligand-Target Pair