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Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 50001013   
Target
(Institution)
LigandTarget
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
Dipeptidyl peptidase IV


(Bos taurus)
BDBM50391467
PNG
(CHEMBL2147057)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C22H22ClN5O/c23-17-9-3-1-6-14(17)12-28-20-19(16-8-2-4-10-18(16)25-21(20)29)26-22(28)27-11-5-7-15(24)13-27/h1-4,6,8-10,15H,5,7,11-13,24H2,(H,25,29)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP4 by HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Bos taurus)
BDBM50391474
PNG
(CHEMBL2147197)
Show SMILES CC(C)=CCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCNCC1
Show InChI InChI=1S/C15H22N6O2/c1-10(2)4-7-21-11-12(19(3)15(23)18-13(11)22)17-14(21)20-8-5-16-6-9-20/h4,16H,5-9H2,1-3H3,(H,18,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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AffyNet 
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PC sid
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Article
PubMed
n/an/a 676n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP4 by HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Bos taurus)
BDBM50113678
PNG
(1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...)
Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1
Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl-peptidase II (DPP-II) extracted from bovine kidney homogenate


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Bos taurus)
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
PDB
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KEGG

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PC cid
PC sid
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PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl-peptidase II (DPP-II) extracted from bovine kidney homogenate


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Bos taurus)
BDBM11113
PNG
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Dipeptidyl-peptidase II (DPP-II) extracted from bovine kidney homogenate


J Med Chem 45: 2362-5 (2002)

More data for this
Ligand-Target Pair