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PubMed code 1479591

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50004338
PNG
(N-(1-Carboxy-2-phenyl-ethyl)-3-[8-(diaminomethyl-a...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/p-1/t16-,17-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen receptor binding


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004338
PNG
(N-(1-Carboxy-2-phenyl-ethyl)-3-[8-(diaminomethyl-a...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/p-1/t16-,17-/m0/s1
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004341
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-phenyl-1-(5H-te...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C22H33N9O4/c23-22(24)25-12-8-3-1-2-7-11-18(32)26-17(14-19(33)34)21(35)27-16(20-28-30-31-29-20)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,32)(H,27,35)(H,33,34)(H4,23,24,25)(H,28,29,30,31)/t16-,17-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Fibrinogen binding to Fibrinogen receptor


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004341
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-phenyl-1-(5H-te...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C22H33N9O4/c23-22(24)25-12-8-3-1-2-7-11-18(32)26-17(14-19(33)34)21(35)27-16(20-28-30-31-29-20)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,32)(H,27,35)(H,33,34)(H4,23,24,25)(H,28,29,30,31)/t16-,17-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50003851
PNG
((6S,12S,15S)-1,6-diamino-15-benzyl-12-(carboxymeth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N7O7/c22-13(7-4-8-25-21(23)24)18(32)26-11-16(29)27-14(10-17(30)31)19(33)28-15(20(34)35)9-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,22H2,(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)(H4,23,24,25)/t13-,14-,15-/m0/s1
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen receptor binding


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004339
PNG
(3-(8-Guanidino-octanoylamino)-N-phenethyl-succinam...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H33N5O4/c22-21(23)25-13-8-3-1-2-7-11-18(27)26-17(15-19(28)29)20(30)24-14-12-16-9-5-4-6-10-16/h4-6,9-10,17H,1-3,7-8,11-15H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)/t17-/m0/s1
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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen receptor binding


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50003851
PNG
((6S,12S,15S)-1,6-diamino-15-benzyl-12-(carboxymeth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N7O7/c22-13(7-4-8-25-21(23)24)18(32)26-11-16(29)27-14(10-17(30)31)19(33)28-15(20(34)35)9-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,22H2,(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)(H4,23,24,25)/t13-,14-,15-/m0/s1
PDB

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PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004339
PNG
(3-(8-Guanidino-octanoylamino)-N-phenethyl-succinam...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H33N5O4/c22-21(23)25-13-8-3-1-2-7-11-18(27)26-17(15-19(28)29)20(30)24-14-12-16-9-5-4-6-10-16/h4-6,9-10,17H,1-3,7-8,11-15H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)/t17-/m0/s1
PDB

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PC cid
PC sid
UniChem

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PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%