BindingDB logo
myBDB logout

PubMed code 9873531

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50450677
PNG
(CHEMBL72017)
Show SMILES OC(=O)CCN1CCS[C@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C18H22N2O7S/c21-12-3-1-11(2-4-12)9-13-18(27)20(6-5-15(22)23)7-8-28-14(10-16(24)25)17(26)19-13/h1-4,13-14,21H,5-10H2,(H,19,26)(H,22,23)(H,24,25)/t13-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction


Bioorg Med Chem Lett 8: 2297-302 (1999)


BindingDB Entry DOI: 10.7270/Q279466K
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50450678
PNG
(CHEMBL73899)
Show SMILES OC(=O)CCN1CCS[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C18H22N2O7S/c21-12-3-1-11(2-4-12)9-13-18(27)20(6-5-15(22)23)7-8-28-14(10-16(24)25)17(26)19-13/h1-4,13-14,21H,5-10H2,(H,19,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction


Bioorg Med Chem Lett 8: 2297-302 (1999)


BindingDB Entry DOI: 10.7270/Q279466K
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50450676
PNG
(CHEMBL75405)
Show SMILES CCCCN1CCS[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H26N2O4S/c1-2-3-9-21-10-11-26-16(13-17(22)23)18(24)20-15(19(21)25)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3,(H,20,24)(H,22,23)/t15-,16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction


Bioorg Med Chem Lett 8: 2297-302 (1999)


BindingDB Entry DOI: 10.7270/Q279466K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%