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BDBM50141319 2-(2-Carboxy-vinyl)-5-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-benzoylamino]-benzoic acid::CHEMBL34967

SMILES: OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1C(O)=O

InChI Key: InChIKey=MSJFRVFQMDZEFH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50141319   
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-IIb/beta-3


(Homo sapiens (Human))
BDBM50141319
PNG
(2-(2-Carboxy-vinyl)-5-[3-(1,4,5,6-tetrahydro-pyrim...)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1C(O)=O |w:3.2,t:18|
Show InChI InChI=1S/C21H20N4O5/c26-18(27)8-6-13-5-7-16(12-17(13)20(29)30)24-19(28)14-3-1-4-15(11-14)25-21-22-9-2-10-23-21/h1,3-8,11-12H,2,9-10H2,(H,24,28)(H,26,27)(H,29,30)(H2,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50141319
PNG
(2-(2-Carboxy-vinyl)-5-[3-(1,4,5,6-tetrahydro-pyrim...)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1C(O)=O |w:3.2,t:18|
Show InChI InChI=1S/C21H20N4O5/c26-18(27)8-6-13-5-7-16(12-17(13)20(29)30)24-19(28)14-3-1-4-15(11-14)25-21-22-9-2-10-23-21/h1,3-8,11-12H,2,9-10H2,(H,24,28)(H,26,27)(H,29,30)(H2,22,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 14: 1471-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.015
BindingDB Entry DOI: 10.7270/Q2RJ4HXS
More data for this
Ligand-Target Pair