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SMILES: CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)c1c[nH]c2cc(ccc12)C(N)=N)C(O)=O

InChI Key: InChIKey=ALDNYPOFXBNJLU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50061839   
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))
BDBM50061839
PNG
(2-(Butane-1-sulfonylamino)-3-{3-[(6-carbamimidoyl-...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)c1c[nH]c2cc(ccc12)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H28N6O6S/c1-2-3-8-33(31,32)26-16(20(29)30)11-25-17(27)6-7-23-19(28)14-10-24-15-9-12(18(21)22)4-5-13(14)15/h4-5,9-10,16,24,26H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,28)(H,25,27)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50061839
PNG
(2-(Butane-1-sulfonylamino)-3-{3-[(6-carbamimidoyl-...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)c1c[nH]c2cc(ccc12)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H28N6O6S/c1-2-3-8-33(31,32)26-16(20(29)30)11-25-17(27)6-7-23-19(28)14-10-24-15-9-12(18(21)22)4-5-13(14)15/h4-5,9-10,16,24,26H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,28)(H,25,27)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation induced by 20 microM adenosine 5'-diphosphate (ADP) in human platelet rich plasma (h-PRP).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50061839
PNG
(2-(Butane-1-sulfonylamino)-3-{3-[(6-carbamimidoyl-...)
Show SMILES CCCCS(=O)(=O)NC(CNC(=O)CCNC(=O)c1c[nH]c2cc(ccc12)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H28N6O6S/c1-2-3-8-33(31,32)26-16(20(29)30)11-25-17(27)6-7-23-19(28)14-10-24-15-9-12(18(21)22)4-5-13(14)15/h4-5,9-10,16,24,26H,2-3,6-8,11H2,1H3,(H3,21,22)(H,23,28)(H,25,27)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to the purified immobilized vitronectin receptor (alpha v, beta 3).


J Med Chem 40: 4308-18 (1998)


Article DOI: 10.1021/jm9704863
BindingDB Entry DOI: 10.7270/Q2HM57KW
More data for this
Ligand-Target Pair