BindingDB logo
myBDB logout

BDBM50010181 CHEMBL2370402::[16-Acetylamino-4-carbamoyl-13-(4-guanidino-butyl)-3,3-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraaza-cycloheptadec-7-yl]-acetic acid

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

InChI Key: InChIKey=VWGTZFRRIPINRY-WBOJAVRRSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010181   
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))
BDBM50010181
PNG
(CHEMBL2370402 | [16-Acetylamino-4-carbamoyl-13-(4-...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCCN=C(N)N)NC1=O)C(N)=O
Show InChI InChI=1S/C23H39N9O8S2/c1-11(33)29-14-10-41-42-23(2,3)17(18(24)37)32-20(39)13(8-16(35)36)30-15(34)9-28-19(38)12(31-21(14)40)6-4-5-7-27-22(25)26/h12-14,17H,4-10H2,1-3H3,(H2,24,37)(H,28,38)(H,29,33)(H,30,34)(H,31,40)(H,32,39)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.85E+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