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BDBM50010188 3-[4-amino(imino)methylamino-1-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butylcarboxamido]-(1S)-butylcarboxamidomethylcarboxamido]-3-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]propanoic acid::CHEMBL105092

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=QBTJJPSPQDWDKK-TUFLPTIASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010188   
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))
BDBM50010188
PNG
(3-[4-amino(imino)methylamino-1-[4-amino(imino)meth...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H46N12O8/c1-16(42)38-19(10-6-12-36-29(33)34)26(48)40-18(9-5-11-35-28(31)32)25(47)37-15-22(43)39-21(14-23(44)45)27(49)41-20(24(30)46)13-17-7-3-2-4-8-17/h2-4,7-8,18-21H,5-6,9-15H2,1H3,(H2,30,46)(H,37,47)(H,38,42)(H,39,43)(H,40,48)(H,41,49)(H,44,45)(H4,31,32,35)(H4,33,34,36)/t18-,19-,20-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair