Found 75 hits with Last Name = 'kline' and Initial = 'ad' 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)) | BDBM50058914
(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) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 1% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058928
(CHEMBL292795 | [6-(4-Carbamimidoyl-phenylcarbamoyl...)Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1 Show InChI InChI=1S/C19H18N4O4/c20-17(21)11-1-4-14(5-2-11)22-18(26)13-3-6-15-12(9-13)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) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290317
(4-{1-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihy...)Show SMILES COC(=O)c1ccc(cc1)C(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C28H27N3O6/c1-36-28(35)20-8-6-18(7-9-20)24(15-25(32)33)31-13-12-21-14-22(10-11-23(21)27(31)34)37-16-17-2-4-19(5-3-17)26(29)30/h2-11,14,24H,12-13,15-16H2,1H3,(H3,29,30)(H,32,33) | PDB
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PC cid
PC sid
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| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290324
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CCc3c2)C(CC(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C26H25N3O4/c27-25(28)19-8-6-17(7-9-19)16-33-21-10-11-22-20(14-21)12-13-29(26(22)32)23(15-24(30)31)18-4-2-1-3-5-18/h1-11,14,23H,12-13,15-16H2,(H3,27,28)(H,30,31) | PDB
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PC cid
PC sid
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| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290319
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES COc1ccc(cc1)C(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C27H27N3O5/c1-34-21-8-6-18(7-9-21)24(15-25(31)32)30-13-12-20-14-22(10-11-23(20)27(30)33)35-16-17-2-4-19(5-3-17)26(28)29/h2-11,14,24H,12-13,15-16H2,1H3,(H3,28,29)(H,31,32) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290325
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290325
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058924
(CHEMBL68183 | [6-(4-Carbamimidoyl-phenylethynyl)-1...)Show SMILES NC(=N)c1ccc(cc1)C#Cc1ccc2C(=O)N(CC(O)=O)CCc2c1 Show InChI InChI=1S/C20H17N3O3/c21-19(22)15-6-3-13(4-7-15)1-2-14-5-8-17-16(11-14)9-10-23(20(17)26)12-18(24)25/h3-8,11H,9-10,12H2,(H3,21,22)(H,24,25) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290316
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-19(14-22(28)29)27-12-11-18-13-20(9-10-21(18)24(27)30)31-15-16-5-7-17(8-6-16)23(25)26/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H3,25,26)(H,28,29) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290325
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290321
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31) | PDB
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PC sid
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| Article
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290321
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31) | PDB
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PC cid
PC sid
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| Article
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290320
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C22H25N3O4/c1-2-17(12-20(26)27)25-10-9-16-11-18(7-8-19(16)22(25)28)29-13-14-3-5-15(6-4-14)21(23)24/h3-8,11,17H,2,9-10,12-13H2,1H3,(H3,23,24)(H,26,27) | PDB
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| Article
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 4.5% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290326
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C23H27N3O4/c1-2-3-18(13-21(27)28)26-11-10-17-12-19(8-9-20(17)23(26)29)30-14-15-4-6-16(7-5-15)22(24)25/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H3,24,25)(H,27,28) | PDB
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| Article
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058908
(CHEMBL67520 | {6-[(E)-2-(4-Carbamimidoyl-phenyl)-v...)Show SMILES NC(=N)c1ccc(\C=C\c2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1 Show InChI InChI=1S/C20H19N3O3/c21-19(22)15-6-3-13(4-7-15)1-2-14-5-8-17-16(11-14)9-10-23(20(17)26)12-18(24)25/h1-8,11H,9-10,12H2,(H3,21,22)(H,24,25)/b2-1+ | PDB
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| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290323
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES COCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C24H29N3O5/c1-31-12-2-3-19(14-22(28)29)27-11-10-18-13-20(8-9-21(18)24(27)30)32-15-16-4-6-17(7-5-16)23(25)26/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H3,25,26)(H,28,29) | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290315
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| Article
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290315
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290315
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 4.5% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058914
(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) | PDB
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290321
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 0.1% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290322
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES COCCOCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C24H29N3O6/c1-31-10-11-32-15-19(13-22(28)29)27-9-8-18-12-20(6-7-21(18)24(27)30)33-14-16-2-4-17(5-3-16)23(25)26/h2-7,12,19H,8-11,13-15H2,1H3,(H3,25,26)(H,28,29) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058914
(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) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290328
(CHEMBL87318 | [(5S,8S,14S,22R,24aS)-22-Carbamoyl-1...)Show SMILES CC1(C)SSCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C(N)=O Show InChI InChI=1S/C36H51N11O9S2/c1-36(2)29(30(37)52)46-33(55)25-10-6-13-47(25)34(56)24(15-19-17-41-21-8-4-3-7-20(19)21)45-32(54)23(16-28(50)51)44-27(49)18-42-31(53)22(9-5-12-40-35(38)39)43-26(48)11-14-57-58-36/h3-4,7-8,17,22-25,29,41H,5-6,9-16,18H2,1-2H3,(H2,37,52)(H,42,53)(H,43,48)(H,44,49)(H,45,54)(H,46,55)(H,50,51)(H4,38,39,40)/t22-,23-,24-,25-,29+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 1% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290325
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290315
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290328
(CHEMBL87318 | [(5S,8S,14S,22R,24aS)-22-Carbamoyl-1...)Show SMILES CC1(C)SSCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H]1C(N)=O Show InChI InChI=1S/C36H51N11O9S2/c1-36(2)29(30(37)52)46-33(55)25-10-6-13-47(25)34(56)24(15-19-17-41-21-8-4-3-7-20(19)21)45-32(54)23(16-28(50)51)44-27(49)18-42-31(53)22(9-5-12-40-35(38)39)43-26(48)11-14-57-58-36/h3-4,7-8,17,22-25,29,41H,5-6,9-16,18H2,1-2H3,(H2,37,52)(H,42,53)(H,43,48)(H,44,49)(H,45,54)(H,46,55)(H,50,51)(H4,38,39,40)/t22-,23-,24-,25-,29+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058920
(CHEMBL66669 | {6-[2-(4-Carbamimidoyl-phenyl)-ethyl...)Show SMILES NC(=N)c1ccc(CCc2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1 Show InChI InChI=1S/C20H21N3O3/c21-19(22)15-6-3-13(4-7-15)1-2-14-5-8-17-16(11-14)9-10-23(20(17)26)12-18(24)25/h3-8,11H,1-2,9-10,12H2,(H3,21,22)(H,24,25) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290324
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CCc3c2)C(CC(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C26H25N3O4/c27-25(28)19-8-6-17(7-9-19)16-33-21-10-11-22-20(14-21)12-13-29(26(22)32)23(15-24(30)31)18-4-2-1-3-5-18/h1-11,14,23H,12-13,15-16H2,(H3,27,28)(H,30,31) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290317
(4-{1-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihy...)Show SMILES COC(=O)c1ccc(cc1)C(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C28H27N3O6/c1-36-28(35)20-8-6-18(7-9-20)24(15-25(32)33)31-13-12-21-14-22(10-11-23(21)27(31)34)37-16-17-2-4-19(5-3-17)26(29)30/h2-11,14,24H,12-13,15-16H2,1H3,(H3,29,30)(H,32,33) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290326
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C23H27N3O4/c1-2-3-18(13-21(27)28)26-11-10-17-12-19(8-9-20(17)23(26)29)30-14-15-4-6-16(7-5-15)22(24)25/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H3,24,25)(H,27,28) | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 0.1% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290319
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES COc1ccc(cc1)C(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C27H27N3O5/c1-34-21-8-6-18(7-9-21)24(15-25(31)32)30-13-12-20-14-22(10-11-23(20)27(30)33)35-16-17-2-4-19(5-3-17)26(28)29/h2-11,14,24H,12-13,15-16H2,1H3,(H3,28,29)(H,31,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058910
(CHEMBL63770 | {6-[(Z)-2-(4-Carbamimidoyl-phenyl)-v...)Show SMILES NC(=N)c1ccc(\C=C/c2ccc3C(=O)N(CC(O)=O)CCc3c2)cc1 Show InChI InChI=1S/C20H19N3O3/c21-19(22)15-6-3-13(4-7-15)1-2-14-5-8-17-16(11-14)9-10-23(20(17)26)12-18(24)25/h1-8,11H,9-10,12H2,(H3,21,22)(H,24,25)/b2-1- | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290320
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C22H25N3O4/c1-2-17(12-20(26)27)25-10-9-16-11-18(7-8-19(16)22(25)28)29-13-14-3-5-15(6-4-14)21(23)24/h3-8,11,17H,2,9-10,12-13H2,1H3,(H3,23,24)(H,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290321
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C26H33N3O4/c1-2-3-4-5-6-21(16-24(30)31)29-14-13-20-15-22(11-12-23(20)26(29)32)33-17-18-7-9-19(10-8-18)25(27)28/h7-12,15,21H,2-6,13-14,16-17H2,1H3,(H3,27,28)(H,30,31) | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290318
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CCC(O)=O)CCc3c2)cc1 Show InChI InChI=1S/C20H21N3O4/c21-19(22)14-3-1-13(2-4-14)12-27-16-5-6-17-15(11-16)7-9-23(20(17)26)10-8-18(24)25/h1-6,11H,7-10,12H2,(H3,21,22)(H,24,25) | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290318
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES NC(=N)c1ccc(COc2ccc3C(=O)N(CCC(O)=O)CCc3c2)cc1 Show InChI InChI=1S/C20H21N3O4/c21-19(22)14-3-1-13(2-4-14)12-27-16-5-6-17-15(11-16)7-9-23(20(17)26)10-8-18(24)25/h1-6,11H,7-10,12H2,(H3,21,22)(H,24,25) | PDB
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| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290315
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCOCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O5/c1-2-32-13-3-4-20(15-23(29)30)28-12-11-19-14-21(9-10-22(19)25(28)31)33-16-17-5-7-18(8-6-17)24(26)27/h5-10,14,20H,2-4,11-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290325
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-5-20(15-23(29)30)28-13-12-19-14-21(10-11-22(19)25(28)31)32-16-17-6-8-18(9-7-17)24(26)27/h6-11,14,20H,2-5,12-13,15-16H2,1H3,(H3,26,27)(H,29,30) | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP). |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290316
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C24H29N3O4/c1-2-3-4-19(14-22(28)29)27-12-11-18-13-20(9-10-21(18)24(27)30)31-15-16-5-7-17(8-6-16)23(25)26/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H3,25,26)(H,28,29) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 1% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058911
(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) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058911
(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) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50285097
((1-{1-[1-(3-Carbamoyl-1-formyl-propylcarbamoyl)-2-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C=O Show InChI InChI=1S/C30H47N5O7/c1-18(2)15-22(34-28(40)25(19(3)4)35-29(41)42-30(5,6)7)27(39)33-23(16-20-11-9-8-10-12-20)26(38)32-21(17-36)13-14-24(31)37/h8-12,17-19,21-23,25H,13-16H2,1-7H3,(H2,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)/t21-,22-,23-,25-/m0/s1 | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human rhinovirus-14 Protease 3C |
Bioorg Med Chem Lett 5: 2021-2026 (1995)
Article DOI: 10.1016/0960-894X(95)00345-T
BindingDB Entry DOI: 10.7270/Q25Q4W2K |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290323
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES COCCCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C24H29N3O5/c1-31-12-2-3-19(14-22(28)29)27-11-10-18-13-20(8-9-21(18)24(27)30)32-15-16-4-6-17(7-5-16)23(25)26/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H3,25,26)(H,28,29) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 4.5% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290322
(3-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES COCCOCC(CC(O)=O)N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O Show InChI InChI=1S/C24H29N3O6/c1-31-10-11-32-15-19(13-22(28)29)27-9-8-18-12-20(6-7-21(18)24(27)30)33-14-16-2-4-17(5-3-16)23(25)26/h2-7,12,19H,8-11,13-15H2,1H3,(H3,25,26)(H,28,29) | PDB
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| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 0.1% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50285098
(2-Amino-4-methyl-pentanoic acid [1-(3-carbamoyl-1-...)Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C=O Show InChI InChI=1S/C20H30N4O4/c1-13(2)10-16(21)19(27)24-17(11-14-6-4-3-5-7-14)20(28)23-15(12-25)8-9-18(22)26/h3-7,12-13,15-17H,8-11,21H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)/t15-,16-,17-/m0/s1 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human rhinovirus-14 Protease 3C |
Bioorg Med Chem Lett 5: 2021-2026 (1995)
Article DOI: 10.1016/0960-894X(95)00345-T
BindingDB Entry DOI: 10.7270/Q25Q4W2K |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290329
(2-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCC(N1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O)C(O)=O Show InChI InChI=1S/C22H25N3O4/c1-2-3-19(22(27)28)25-11-10-16-12-17(8-9-18(16)21(25)26)29-13-14-4-6-15(7-5-14)20(23)24/h4-9,12,19H,2-3,10-11,13H2,1H3,(H3,23,24)(H,27,28) | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058907
(CHEMBL67294 | [1-Oxo-6-(4-piperidin-4-yl-butoxy)-3...)Show InChI InChI=1S/C20H28N2O4/c23-19(24)14-22-11-8-16-13-17(4-5-18(16)20(22)25)26-12-2-1-3-15-6-9-21-10-7-15/h4-5,13,15,21H,1-3,6-12,14H2,(H,23,24) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA |
J Med Chem 40: 2085-101 (1997)
Article DOI: 10.1021/jm9701076
BindingDB Entry DOI: 10.7270/Q23T9GBH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50290327
(2-[6-(4-Carbamimidoyl-benzyloxy)-1-oxo-3,4-dihydro...)Show SMILES CCCC(CN1CCc2cc(OCc3ccc(cc3)C(N)=N)ccc2C1=O)C(O)=O Show InChI InChI=1S/C23H27N3O4/c1-2-3-18(23(28)29)13-26-11-10-17-12-19(8-9-20(17)22(26)27)30-14-15-4-6-16(7-5-15)21(24)25/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H3,24,25)(H,28,29) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to purified human alpha IIb beta3 integrin by 50% in an ELISA test |
Bioorg Med Chem Lett 7: 2537-2542 (1997)
Article DOI: 10.1016/S0960-894X(97)10014-2
BindingDB Entry DOI: 10.7270/Q2WD40KZ |
More data for this
Ligand-Target Pair | |
Genome polyprotein
(Human rhinovirus B) | BDBM50285094
(2-Acetylamino-4-methyl-pentanoic acid [1-(3-carbam...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C=O Show InChI InChI=1S/C22H32N4O5/c1-14(2)11-18(24-15(3)28)22(31)26-19(12-16-7-5-4-6-8-16)21(30)25-17(13-27)9-10-20(23)29/h4-8,13-14,17-19H,9-12H2,1-3H3,(H2,23,29)(H,24,28)(H,25,30)(H,26,31)/t17-,18-,19-/m0/s1 | PDB
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human rhinovirus-14 Protease 3C |
Bioorg Med Chem Lett 5: 2021-2026 (1995)
Article DOI: 10.1016/0960-894X(95)00345-T
BindingDB Entry DOI: 10.7270/Q25Q4W2K |
More data for this
Ligand-Target Pair | |
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