Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50043802 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50446537
(CHEMBL3110100 | US9505749, 106)Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:20.25,wD:17.18,(59.2,-17.39,;59.2,-18.93,;57.86,-19.7,;56.53,-18.93,;55.19,-19.69,;53.86,-18.92,;52.51,-19.69,;51.18,-18.92,;49.85,-19.68,;48.51,-18.91,;48.51,-17.37,;49.84,-16.6,;51.18,-17.36,;52.52,-16.58,;52.52,-15.04,;53.86,-17.36,;60.53,-19.71,;61.86,-18.92,;63.2,-19.69,;64.53,-18.91,;64.52,-17.37,;63.17,-16.61,;61.85,-17.39,;65.85,-16.59,;67.19,-17.35,;67.2,-18.89,;68.54,-19.64,;69.87,-18.86,;69.85,-17.31,;68.51,-16.56,;71.21,-19.62,;72.55,-20.37,)| Show InChI InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PARP2 (unknown origin) |
J Med Chem 56: 10003-15 (2013)
Article DOI: 10.1021/jm401317z
BindingDB Entry DOI: 10.7270/Q2S46TF5 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50446538
(CHEMBL3110117 | US9505749, 97)Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:20.25,wD:17.18,(59.36,-49.64,;59.35,-51.18,;58.02,-51.95,;56.68,-51.17,;55.35,-51.94,;54.02,-51.16,;52.67,-51.94,;51.33,-51.16,;50,-51.93,;48.67,-51.16,;48.67,-49.61,;50,-48.84,;51.33,-49.61,;52.67,-48.83,;52.67,-47.29,;54.02,-49.61,;60.68,-51.95,;62.02,-51.17,;63.35,-51.94,;64.68,-51.16,;64.67,-49.62,;63.33,-48.86,;62,-49.64,;66,-48.83,;67.42,-49.44,;68.44,-48.29,;67.65,-46.96,;66.15,-47.29,;68.4,-45.62,;69.94,-45.6,;70.69,-44.26,;69.9,-42.93,;68.35,-42.96,;67.61,-44.31,)| Show InChI InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PARP2 (unknown origin) |
J Med Chem 56: 10003-15 (2013)
Article DOI: 10.1021/jm401317z
BindingDB Entry DOI: 10.7270/Q2S46TF5 |
More data for this
Ligand-Target Pair | |
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