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SMILES: Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O

InChI Key: InChIKey=KJEBFTVYEJJYBP-JRZJBTRGSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083788   
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))
BDBM50083788
PNG
(2-(2-Chloro-6-methyl-benzenesulfonylamino)-3-({5-[...)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:18|
Show InChI InChI=1S/C21H27ClN6O6S/c1-13-5-4-7-15(22)18(13)35(32,33)28-17(20(30)31)12-26-19(29)16-11-14(34-27-16)6-2-3-8-23-21-24-9-10-25-21/h4-5,7,9-10,14,17,28H,2-3,6,8,11-12H2,1H3,(H,26,29)(H,30,31)(H2,23,24,25)/t14?,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 390n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation in human platelet rich plasma (PRP)


J Med Chem 43: 27-40 (2000)


BindingDB Entry DOI: 10.7270/Q2571B77
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50083788
PNG
(2-(2-Chloro-6-methyl-benzenesulfonylamino)-3-({5-[...)
Show SMILES Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNc2ncc[nH]2)C1)C(O)=O |t:18|
Show InChI InChI=1S/C21H27ClN6O6S/c1-13-5-4-7-15(22)18(13)35(32,33)28-17(20(30)31)12-26-19(29)16-11-14(34-27-16)6-2-3-8-23-21-24-9-10-25-21/h4-5,7,9-10,14,17,28H,2-3,6,8,11-12H2,1H3,(H,26,29)(H,30,31)(H2,23,24,25)/t14?,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.10n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen


J Med Chem 43: 27-40 (2000)


BindingDB Entry DOI: 10.7270/Q2571B77
More data for this
Ligand-Target Pair