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BDBM50006281 6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclooctadecane-3-carboxylic acid::CHEMBL62458

SMILES: C[C@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O

InChI Key: InChIKey=RNRNOOHZNNWVAO-RHYQMDGZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006281   
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))
BDBM50006281
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...)
Show SMILES C[C@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C20H32N8O9S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-38-8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10+,11+,12+/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006281
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...)
Show SMILES C[C@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C20H32N8O9S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-38-8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10+,11+,12+/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair