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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for UniProtKB: O00311   
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
Integrin alpha-2/beta-1


(Homo sapiens (Human))
BDBM50538004
PNG
(CHEMBL4303254)
Show SMILES CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cnn(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Pliant Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human alpha2 beta1 expressed in CHO cells assessed as reduction in cell adhesion to collagen type 1 incubated for 5 mins by DiOC6 dye b...


J Med Chem 63: 5675-5696 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01869
BindingDB Entry DOI: 10.7270/Q2DR302Z
More data for this
Ligand-Target Pair
Integrin alpha-2/beta-1


(Homo sapiens (Human))
BDBM50538003
PNG
(CHEMBL4649149)
Show SMILES CN(c1ccc(NC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(s1)-c1ccnn1C
Show InChI InChI=1S/C22H21N5O3S2/c1-26-19(14-15-23-26)20-12-13-21(31-20)32(29,30)27(2)18-10-8-17(9-11-18)25-22(28)24-16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Pliant Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human alpha2 beta1 expressed in CHO cells assessed as reduction in cell adhesion to collagen type 1 incubated for 5 mins by DiOC6 dye b...


J Med Chem 63: 5675-5696 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01869
BindingDB Entry DOI: 10.7270/Q2DR302Z
More data for this
Ligand-Target Pair