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BDBM50277095 3-(5-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy)-1-oxoisoindolin-2-yl)propanoic acid::CHEMBL464398

SMILES: Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)Cc4c3)cccc12

InChI Key: InChIKey=FZSPARDKXKVYGG-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50277095   
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-V


(Homo sapiens (Human))
BDBM50277095
PNG
(3-(5-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)Cc4c3)cccc12
Show InChI InChI=1S/C19H18N4O4/c1-22-14-3-2-4-15(17(14)21-19(22)20)27-12-5-6-13-11(9-12)10-23(18(13)26)8-7-16(24)25/h2-6,9H,7-8,10H2,1H3,(H2,20,21)(H,24,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9
More data for this
Ligand-Target Pair
Integrin alpha-IIb


(Homo sapiens (Human))
BDBM50277095
PNG
(3-(5-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)Cc4c3)cccc12
Show InChI InChI=1S/C19H18N4O4/c1-22-14-3-2-4-15(17(14)21-19(22)20)27-12-5-6-13-11(9-12)10-23(18(13)26)8-7-16(24)25/h2-6,9H,7-8,10H2,1H3,(H2,20,21)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9
More data for this
Ligand-Target Pair
Integrin alpha-V


(Homo sapiens (Human))
BDBM50277095
PNG
(3-(5-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)Cc4c3)cccc12
Show InChI InChI=1S/C19H18N4O4/c1-22-14-3-2-4-15(17(14)21-19(22)20)27-12-5-6-13-11(9-12)10-23(18(13)26)8-7-16(24)25/h2-6,9H,7-8,10H2,1H3,(H2,20,21)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alphavbeta5 receptor by TRF assay


Bioorg Med Chem Lett 19: 352-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.074
BindingDB Entry DOI: 10.7270/Q2N016C9
More data for this
Ligand-Target Pair