Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50003852
((4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-ace...)Show SMILES CN(CC(=O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O8/c1-24(21(30)13-4-2-12(3-5-13)20(22)23)9-15(25)14-6-7-16(31-10-18(26)27)17(8-14)32-11-19(28)29/h2-8H,9-11H2,1H3,(H3,22,23)(H,26,27)(H,28,29) | PDB
KEGG
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50003874
(CHEMBL108111 | LAMIFIBAN | Ro-44-9883 | {1-[(S)-2-...)Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O Show InChI InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50003867
(CHEMBL65267 | Ro-44-3888 | {1-[(S)-2-(4-Carbamimid...)Show SMILES C[C@H](NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC1)OCC(O)=O Show InChI InChI=1S/C18H24N4O5/c1-11(21-17(25)13-4-2-12(3-5-13)16(19)20)18(26)22-8-6-14(7-9-22)27-10-15(23)24/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,21,25)(H,23,24)/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052488
(CHEMBL107279 | {1-[(S)-2-(4-Carbamimidoyl-benzoyla...)Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H32N4O6/c1-2-35-23(32)16-36-21-11-13-30(14-12-21)26(34)22(15-17-3-9-20(31)10-4-17)29-25(33)19-7-5-18(6-8-19)24(27)28/h3-10,21-22,31H,2,11-16H2,1H3,(H3,27,28)(H,29,33)/t22-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052485
(CHEMBL106349 | {1-[(S)-2-(4-{Amino-[(E)-ethoxycarb...)Show SMILES CCOC(=O)N=C(N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O |w:5.4| Show InChI InChI=1S/C27H32N4O8/c1-2-38-27(37)30-24(28)18-5-7-19(8-6-18)25(35)29-22(15-17-3-9-20(32)10-4-17)26(36)31-13-11-21(12-14-31)39-16-23(33)34/h3-10,21-22,32H,2,11-16H2,1H3,(H,29,35)(H,33,34)(H2,28,30,37)/t22-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052487
(CHEMBL320317 | {1-[(S)-2-(4-Carbamimidoyl-benzoyla...)Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H28N4O5/c1-3-28-17(25)12-29-16-8-10-24(11-9-16)20(27)13(2)23-19(26)15-6-4-14(5-7-15)18(21)22/h4-7,13,16H,3,8-12H2,1-2H3,(H3,21,22)(H,23,26)/t13-/m0/s1 | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052478
((1-{(S)-2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...)Show SMILES C[C@H](NC(=O)c1ccc(cc1)C(=N)NO)C(=O)N1CCC(CC1)OCC(O)=O Show InChI InChI=1S/C18H24N4O6/c1-11(18(26)22-8-6-14(7-9-22)28-10-15(23)24)20-17(25)13-4-2-12(3-5-13)16(19)21-27/h2-5,11,14,27H,6-10H2,1H3,(H2,19,21)(H,20,25)(H,23,24)/t11-/m0/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 594 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052481
((4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-ace...)Show SMILES CC(C)OC(=O)COc1ccc(cc1OCC(=O)OC(C)C)C(=O)CN(C)C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H33N3O8/c1-16(2)37-24(32)14-35-22-11-10-20(12-23(22)36-15-25(33)38-17(3)4)21(31)13-30(5)27(34)19-8-6-18(7-9-19)26(28)29/h6-12,16-17H,13-15H2,1-5H3,(H3,28,29) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052480
(CHEMBL106838 | {1-[(S)-2-(4-{Amino-[(E)-ethoxycarb...)Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(N)=NC(=O)OCC |w:35.38| Show InChI InChI=1S/C29H36N4O8/c1-3-39-25(35)18-41-23-13-15-33(16-14-23)28(37)24(17-19-5-11-22(34)12-6-19)31-27(36)21-9-7-20(8-10-21)26(30)32-29(38)40-4-2/h5-12,23-24,34H,3-4,13-18H2,1-2H3,(H,31,36)(H2,30,32,38)/t24-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052477
((1-{(S)-2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...)Show SMILES CC(C)OC(=O)OC(C)OC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C24H34N4O9/c1-14(2)35-24(32)37-16(4)36-20(29)13-34-19-9-11-28(12-10-19)23(31)15(3)26-22(30)18-7-5-17(6-8-18)21(25)27-33/h5-8,14-16,19,33H,9-13H2,1-4H3,(H2,25,27)(H,26,30)/t15-,16?/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052484
(CHEMBL325367 | {1-[(S)-2-[4-(N-Hydroxycarbamimidoy...)Show SMILES CCOC(=O)COC1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C26H32N4O7/c1-2-36-23(32)16-37-21-11-13-30(14-12-21)26(34)22(15-17-3-9-20(31)10-4-17)28-25(33)19-7-5-18(6-8-19)24(27)29-35/h3-10,21-22,31,35H,2,11-16H2,1H3,(H2,27,29)(H,28,33)/t22-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052479
(CHEMBL107449 | [5-(2-{[4-(N-Hydroxycarbamimidoyl)-...)Show SMILES COC(=O)COc1ccc(cc1OCC(=O)OC)C(=O)CN(C)C(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C23H25N3O9/c1-26(23(30)15-6-4-14(5-7-15)22(24)25-31)11-17(27)16-8-9-18(34-12-20(28)32-2)19(10-16)35-13-21(29)33-3/h4-10,31H,11-13H2,1-3H3,(H2,24,25) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052486
(4-(N-Hydroxycarbamimidoyl)-N-{(S)-1-methyl-2-oxo-2...)Show SMILES CCC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO Show InChI InChI=1S/C20H28N4O5/c1-3-16(25)12-29-17-8-10-24(11-9-17)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,17,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/m0/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052482
(CHEMBL104518 | {1-[(S)-3-(4-Acetoxy-phenyl)-2-(4-{...)Show SMILES CCOC(=O)N=C(N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)N1CCC(CC1)OCC(=O)OC(C)C |w:5.4| Show InChI InChI=1S/C32H40N4O9/c1-5-42-32(41)35-29(33)23-8-10-24(11-9-23)30(39)34-27(18-22-6-12-26(13-7-22)45-21(4)37)31(40)36-16-14-25(15-17-36)43-19-28(38)44-20(2)3/h6-13,20,25,27H,5,14-19H2,1-4H3,(H,34,39)(H2,33,35,41)/t27-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052476
(CHEMBL106947 | {1-[(S)-2-(4-{Amino-[(Z)-butoxycarb...)Show SMILES CCCCOC(=O)N=C(N)c1ccc(cc1)C(=O)N[C@@H](C)C(=O)N1CCC(CC1)OCC(=O)OCC |w:7.6| Show InChI InChI=1S/C25H36N4O7/c1-4-6-15-35-25(33)28-22(26)18-7-9-19(10-8-18)23(31)27-17(3)24(32)29-13-11-20(12-14-29)36-16-21(30)34-5-2/h7-10,17,20H,4-6,11-16H2,1-3H3,(H,27,31)(H2,26,28,33)/t17-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50052483
(CHEMBL107130 | [4-(2-{[4-(Amino-ethoxycarbonylamin...)Show SMILES CCOC(=O)NC(N)c1ccc(cc1)C(=O)N(C)CC(=O)c1ccc(OCC(=O)OC(C)C)c(OCC(=O)OC(C)C)c1 Show InChI InChI=1S/C30H39N3O10/c1-7-39-30(38)32-28(31)20-8-10-21(11-9-20)29(37)33(6)15-23(34)22-12-13-24(40-16-26(35)42-18(2)3)25(14-22)41-17-27(36)43-19(4)5/h8-14,18-19,28H,7,15-17,31H2,1-6H3,(H,32,38) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of FG binding to alpha IIb beta3 integrin |
J Med Chem 39: 3139-47 (1996)
Article DOI: 10.1021/jm9509298
BindingDB Entry DOI: 10.7270/Q2GT5M7Q |
More data for this
Ligand-Target Pair | |
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