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SMILES: CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCc1cccc(N)n1

InChI Key: InChIKey=FCNBQKCLVVOYGU-INIZCTEOSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50078711   
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/beta-3


(Homo sapiens (Human))
BDBM50078711
PNG
(CHEMBL50257 | {(S)-7-[2-(6-Amino-pyridin-2-yl)-eth...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCc1cccc(N)n1
Show InChI InChI=1S/C20H23N5O4/c1-25-11-13-9-12(5-6-15(13)24-16(20(25)29)10-18(26)27)19(28)22-8-7-14-3-2-4-17(21)23-14/h2-6,9,16,24H,7-8,10-11H2,1H3,(H2,21,23)(H,22,28)(H,26,27)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
85n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.


Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078711
PNG
(CHEMBL50257 | {(S)-7-[2-(6-Amino-pyridin-2-yl)-eth...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCc1cccc(N)n1
Show InChI InChI=1S/C20H23N5O4/c1-25-11-13-9-12(5-6-15(13)24-16(20(25)29)10-18(26)27)19(28)22-8-7-14-3-2-4-17(21)23-14/h2-6,9,16,24H,7-8,10-11H2,1H3,(H2,21,23)(H,22,28)(H,26,27)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
8.50E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.


Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
More data for this
Ligand-Target Pair