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PubMed code 10579850

Compile data set for download or QSAR
Found 15 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))		BDBM50082930
PNG
(CHEMBL117662 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)C(CC(O)=O)CCc2c1
Show InChI InChI=1S/C20H19N3O4/c21-19(22)11-1-3-12(4-2-11)20(27)23-15-7-8-16-13(9-15)5-6-14(18(16)26)10-17(24)25/h1-4,7-9,14H,5-6,10H2,(H3,21,22)(H,23,27)(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082933
PNG
(CHEMBL323720 | [6-(4-Carbamimidoyl-benzoylamino)-c...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OC(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H19N3O4/c20-18(21)11-1-3-12(4-2-11)19(25)22-14-6-8-16-13(9-14)5-7-15(26-16)10-17(23)24/h1-4,6,8-9,15H,5,7,10H2,(H3,20,21)(H,22,25)(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058914
PNG
(CHEMBL303597 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2C(=O)N(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H18N4O4/c20-17(21)11-1-3-12(4-2-11)18(26)22-14-5-6-15-13(9-14)7-8-23(19(15)27)10-16(24)25/h1-6,9H,7-8,10H2,(H3,20,21)(H,22,26)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082932
PNG
(CHEMBL147258 | [6-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CC(CC(O)=O)CCc2c1
Show InChI InChI=1S/C20H21N3O3/c21-19(22)13-3-5-14(6-4-13)20(26)23-17-8-7-15-9-12(10-18(24)25)1-2-16(15)11-17/h3-8,11-12H,1-2,9-10H2,(H3,21,22)(H,23,26)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082931
PNG
(CHEMBL148205 | [6-(4-Carbamimidoyl-benzoylamino)-3...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CN(CC(O)=O)CCc2c1
Show InChI InChI=1S/C19H20N4O3/c20-18(21)12-1-3-13(4-2-12)19(26)22-16-6-5-15-10-23(11-17(24)25)8-7-14(15)9-16/h1-6,9H,7-8,10-11H2,(H3,20,21)(H,22,26)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082927
PNG
(CHEMBL344117 | [6-(4-Carbamimidoyl-benzyloxy)-1-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)C(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H20N2O4/c21-20(22)13-3-1-12(2-4-13)11-26-16-7-8-17-14(9-16)5-6-15(19(17)25)10-18(23)24/h1-4,7-9,15H,5-6,10-11H2,(H3,21,22)(H,23,24)
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n/an/a 27n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082928
PNG
(CHEMBL439620 | [6-(4-Carbamimidoyl-benzyloxy)-3,4-...)
Show SMILES NC(=N)c1ccc(COc2ccc3CN(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C19H21N3O3/c20-19(21)14-3-1-13(2-4-14)12-25-17-6-5-16-10-22(11-18(23)24)8-7-15(16)9-17/h1-6,9H,7-8,10-12H2,(H3,20,21)(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082926
PNG
(CHEMBL144408 | [6-(4-Carbamimidoyl-benzyloxy)-chro...)
Show SMILES NC(=N)c1ccc(COc2ccc3OC(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C19H20N2O4/c20-19(21)13-3-1-12(2-4-13)11-24-15-7-8-17-14(9-15)5-6-16(25-17)10-18(22)23/h1-4,7-9,16H,5-6,10-11H2,(H3,20,21)(H,22,23)
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n/an/a 39n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082937
PNG
(CHEMBL356574 | [6-(4-Carbamimidoyl-benzyloxy)-1,2,...)
Show SMILES NC(=N)c1ccc(COc2ccc3CC(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C20H22N2O3/c21-20(22)15-4-1-13(2-5-15)12-25-18-8-7-16-9-14(10-19(23)24)3-6-17(16)11-18/h1-2,4-5,7-8,11,14H,3,6,9-10,12H2,(H3,21,22)(H,23,24)
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n/an/a 260n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50058911
PNG
(CHEMBL63887 | [6-(4-Carbamimidoyl-benzyloxy)-1-oxo...)
Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1
Show InChI InChI=1S/C19H19N3O4/c20-18(21)13-3-1-12(2-4-13)11-26-15-5-6-16-14(9-15)7-8-22(19(16)25)10-17(23)24/h1-6,9H,7-8,10-11H2,(H3,20,21)(H,23,24)
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n/an/a 600n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082934
PNG
(CHEMBL342540 | [7-(4-Carbamimidoyl-benzyloxy)-1-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3c(CCCN(CC(O)=O)C3=O)c2)cc1
Show InChI InChI=1S/C20H21N3O4/c21-19(22)14-5-3-13(4-6-14)12-27-16-7-8-17-15(10-16)2-1-9-23(20(17)26)11-18(24)25/h3-8,10H,1-2,9,11-12H2,(H3,21,22)(H,24,25)
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n/an/a 600n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082935
PNG
(CHEMBL147218 | [5-(4-Carbamimidoyl-benzyloxy)-1-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CC(O)=O)Cc3c2)cc1
Show InChI InChI=1S/C18H17N3O4/c19-17(20)12-3-1-11(2-4-12)10-25-14-5-6-15-13(7-14)8-21(18(15)24)9-16(22)23/h1-7H,8-10H2,(H3,19,20)(H,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082929
PNG
(CHEMBL144239 | [6-(4-Carbamimidoyl-benzyloxy)-1-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3c(ccn(CC(O)=O)c3=O)c2)cc1
Show InChI InChI=1S/C19H17N3O4/c20-18(21)13-3-1-12(2-4-13)11-26-15-5-6-16-14(9-15)7-8-22(19(16)25)10-17(23)24/h1-9H,10-11H2,(H3,20,21)(H,23,24)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082936
PNG
(CHEMBL147777 | [4-(4-Carbamimidoyl-benzyloxy)-benz...)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)C(=O)NCC(O)=O)cc1
Show InChI InChI=1S/C17H17N3O4/c18-16(19)12-3-1-11(2-4-12)10-24-14-7-5-13(6-8-14)17(23)20-9-15(21)22/h1-8H,9-10H2,(H3,18,19)(H,20,23)(H,21,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50082938
PNG
(CHEMBL148168 | [6-(4-Carbamimidoyl-benzyloxy)-3-ox...)
Show SMILES NC(=N)c1ccc(COc2ccc3CN(CC(O)=O)C(=O)Cc3c2)cc1
Show InChI InChI=1S/C19H19N3O4/c20-19(21)13-3-1-12(2-4-13)11-26-16-6-5-14-9-22(10-18(24)25)17(23)8-15(14)7-16/h1-7H,8-11H2,(H3,20,21)(H,24,25)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin (GP IIb-IIIa)

J Med Chem 42: 4875-89 (1999)


BindingDB Entry DOI: 10.7270/Q2NC60DZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%