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BDBM50010183 CHEMBL353203::[16-Acetylamino-4-carbamoyl-13-(3-guanidino-propyl)-3,3,11-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid

SMILES: [#6]-[#7]-1-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#7])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O

InChI Key: InChIKey=PNNKIIFXOAKISH-WBOJAVRRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010183   
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))
BDBM50010183
PNG
(CHEMBL353203 | [16-Acetylamino-4-carbamoyl-13-(3-g...)
Show SMILES CN1CC(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](C(N)=O)C(C)(C)SSC[C@@H](NC(C)=O)C(=O)N[C@H](CCCN=C(N)N)C1=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)28-14-10-41-42-23(2,3)17(18(24)37)31-19(38)13(8-16(35)36)29-15(34)9-32(4)21(40)12(30-20(14)39)6-5-7-27-22(25)26/h12-14,17H,5-10H2,1-4H3,(H2,24,37)(H,28,33)(H,29,34)(H,30,39)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.34E+4n/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