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BDBM50010187 CHEMBL320288::[19-Acetylamino-4-carbamoyl-16-(3-guanidino-propyl)-7-hydroxymethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicos-10-yl]-acetic acid

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

InChI Key: InChIKey=GJXBXYYHINLHPM-NIFZNCRKSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50010187   
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))
BDBM50010187
PNG
(CHEMBL320288 | [19-Acetylamino-4-carbamoyl-16-(3-g...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C23H38N10O10S2/c1-10(35)29-15-9-45-44-8-14(18(24)39)33-21(42)13(7-34)32-20(41)12(5-17(37)38)30-16(36)6-28-19(40)11(31-22(15)43)3-2-4-27-23(25)26/h11-15,34H,2-9H2,1H3,(H2,24,39)(H,28,40)(H,29,35)(H,30,36)(H,31,43)(H,32,41)(H,33,42)(H,37,38)(H4,25,26,27)/t11-,12-,13+,14+,15-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+3n/an/an/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010187
PNG
(CHEMBL320288 | [19-Acetylamino-4-carbamoyl-16-(3-g...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C23H38N10O10S2/c1-10(35)29-15-9-45-44-8-14(18(24)39)33-21(42)13(7-34)32-20(41)12(5-17(37)38)30-16(36)6-28-19(40)11(31-22(15)43)3-2-4-27-23(25)26/h11-15,34H,2-9H2,1H3,(H2,24,39)(H,28,40)(H,29,35)(H,30,36)(H,31,43)(H,32,41)(H,33,42)(H,37,38)(H4,25,26,27)/t11-,12-,13+,14+,15-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.27E+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