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Compile Data Set for Download or QSAR

Found 2 hits from Aventis Pharma AG   
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))
BDBM50098711
PNG
(CHEMBL17675 | N-(Carboxy-phenyl-methyl)-3-{2-[4-(4...)
Show SMILES NC(N)=Nc1ccc(cc1)-c1[nH]c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(O)=O)c2ccccc2)c1O
Show InChI InChI=1S/C24H25N7O8/c25-23(26)27-14-8-6-13(7-9-14)18-21(36)31(24(39)30-18)11-16(32)28-15(10-17(33)34)20(35)29-19(22(37)38)12-4-2-1-3-5-12/h1-9,15,19,36H,10-11H2,(H,28,32)(H,29,35)(H,30,39)(H,33,34)(H,37,38)(H4,25,26,27)/t15-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Aventis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of 125 I-fibrinogen binding to glycoprotein IIb/IIIa receptor


J Med Chem 44: 1158-76 (2001)


Article DOI: 10.1021/jm001068s
BindingDB Entry DOI: 10.7270/Q2BG2N8R
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50050778
PNG
((S)-N-((S)-Carboxy-phenyl-methyl)-3-{2-[(S)-4-(3-g...)
Show SMILES NC(=N)NCCCc1[nH]c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(O)=O)c2ccccc2)c1O
Show InChI InChI=1S/C21H27N7O8/c22-20(23)24-8-4-7-12-18(33)28(21(36)26-12)10-14(29)25-13(9-15(30)31)17(32)27-16(19(34)35)11-5-2-1-3-6-11/h1-3,5-6,13,16,33H,4,7-10H2,(H,25,29)(H,26,36)(H,27,32)(H,30,31)(H,34,35)(H4,22,23,24)/t13-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Aventis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of 125 I-fibrinogen binding to ADP-activated gel filtered human platelets


J Med Chem 44: 1158-76 (2001)


Article DOI: 10.1021/jm001068s
BindingDB Entry DOI: 10.7270/Q2BG2N8R
More data for this
Ligand-Target Pair