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SMILES: NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN([C@@H](Cc2ccccc2)C(O)=O)C(=O)[C@@H]1CC(O)=O

InChI Key: InChIKey=KDXGTKAQPXSESN-OYKVQYDMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50062800   
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))
BDBM50062800
PNG
((S)-2-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-ace...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN([C@@H](Cc2ccccc2)C(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C25H27N5O7/c26-22(27)16-6-8-17(9-7-16)23(34)28-14-20(31)29-10-11-30(24(35)18(29)13-21(32)33)19(25(36)37)12-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2,(H3,26,27)(H,28,34)(H,32,33)(H,36,37)/t18-,19?/m0/s1
PDB

KEGG

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Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062800
PNG
((S)-2-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-ace...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN([C@@H](Cc2ccccc2)C(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C25H27N5O7/c26-22(27)16-6-8-17(9-7-16)23(34)28-14-20(31)29-10-11-30(24(35)18(29)13-21(32)33)19(25(36)37)12-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2,(H3,26,27)(H,28,34)(H,32,33)(H,36,37)/t18-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062800
PNG
((S)-2-{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-ace...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN([C@@H](Cc2ccccc2)C(O)=O)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C25H27N5O7/c26-22(27)16-6-8-17(9-7-16)23(34)28-14-20(31)29-10-11-30(24(35)18(29)13-21(32)33)19(25(36)37)12-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2,(H3,26,27)(H,28,34)(H,32,33)(H,36,37)/t18-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair