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BDBM50010194 16-(2-Acetylamino-6-amino-hexanoylamino)-7-carboxymethyl-3,3,13-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadecane-4-carboxylic acid::CHEMBL2370405

SMILES: C[C@@H]1NC(=O)[C@H](CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O

InChI Key: InChIKey=PGCYPBPWACRSTB-RWBKLUSOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010194   
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))
BDBM50010194
PNG
(16-(2-Acetylamino-6-amino-hexanoylamino)-7-carboxy...)
Show SMILES C[C@@H]1NC(=O)[C@H](CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O
Show InChI InChI=1S/C25H41N7O10S2/c1-12-20(37)27-10-17(34)30-15(9-18(35)36)22(39)32-19(24(41)42)25(3,4)44-43-11-16(23(40)28-12)31-21(38)14(29-13(2)33)7-5-6-8-26/h12,14-16,19H,5-11,26H2,1-4H3,(H,27,37)(H,28,40)(H,29,33)(H,30,34)(H,31,38)(H,32,39)(H,35,36)(H,41,42)/t12-,14-,15-,16-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.00E+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