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BDBM50010162 CHEMBL2370401::[16-Acetylamino-4-carbamoyl-13-(3-guanidino-propyl)-3,3,10-trimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid

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

InChI Key: InChIKey=ADKXSRIEKQKSSA-NEJBZPKRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010162   
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))
BDBM50010162
PNG
(CHEMBL2370401 | [16-Acetylamino-4-carbamoyl-13-(3-...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CSSC(C)(C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C23H39N9O8S2/c1-10-18(37)31-13(8-15(34)35)20(39)32-16(17(24)36)23(3,4)42-41-9-14(29-11(2)33)21(40)30-12(19(38)28-10)6-5-7-27-22(25)26/h10,12-14,16H,5-9H2,1-4H3,(H2,24,36)(H,28,38)(H,29,33)(H,30,40)(H,31,37)(H,32,39)(H,34,35)(H4,25,26,27)/t10-,12+,13+,14+,16-/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 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