Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50007587 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)) | BDBM50064943
((1-{3-[2-Fluoro-4-(imino-thiazolidin-3-yl-methyl)-...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCSC1 Show InChI InChI=1S/C27H39FN4O4S/c1-5-22(27(3,4)26(35)31-11-9-18(10-12-31)15-23(33)36-6-2)30-25(34)20-8-7-19(16-21(20)28)24(29)32-13-14-37-17-32/h7-8,16,18,22,29H,5-6,9-15,17H2,1-4H3,(H,30,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064930
(CHEMBL77113 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1cccc(O)c1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-12-10-16(11-13-30)14-21(32)33)22(19-4-3-5-20(31)15-19)29-24(34)18-8-6-17(7-9-18)23(27)28/h3-9,15-16,22,31H,10-14H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064941
(CHEMBL78295 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...)Show SMILES CCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C22H31FN4O4/c1-4-17(26-20(30)15-6-5-14(19(24)25)12-16(15)23)22(2,3)21(31)27-9-7-13(8-10-27)11-18(28)29/h5-6,12-13,17H,4,7-11H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064942
(CHEMBL74908 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H36N4O4/c1-15(2)13-19(27-22(31)18-7-5-17(6-8-18)21(25)26)24(3,4)23(32)28-11-9-16(10-12-28)14-20(29)30/h5-8,15-16,19H,9-14H2,1-4H3,(H3,25,26)(H,27,31)(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064935
(CHEMBL312368 | {1-[3-(4-Carbamimidoyl-2-fluoro-ben...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(N)=N Show InChI InChI=1S/C24H35FN4O4/c1-5-19(28-22(31)17-8-7-16(21(26)27)14-18(17)25)24(3,4)23(32)29-11-9-15(10-12-29)13-20(30)33-6-2/h7-8,14-15,19H,5-6,9-13H2,1-4H3,(H3,26,27)(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064922
(CHEMBL432915 | {1-[3-(4-Carbamimidoyl-benzoylamino...)Show SMILES CCCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H36N4O4/c1-4-5-6-19(27-22(31)18-9-7-17(8-10-18)21(25)26)24(2,3)23(32)28-13-11-16(12-14-28)15-20(29)30/h7-10,16,19H,4-6,11-15H2,1-3H3,(H3,25,26)(H,27,31)(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064920
((1-{3-[2-Fluoro-4-(imino-morpholin-4-yl-methyl)-be...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCOCC1 Show InChI InChI=1S/C28H41FN4O5/c1-5-23(28(3,4)27(36)33-11-9-19(10-12-33)17-24(34)38-6-2)31-26(35)21-8-7-20(18-22(21)29)25(30)32-13-15-37-16-14-32/h7-8,18-19,23,30H,5-6,9-17H2,1-4H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064938
(CHEMBL77635 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...)Show SMILES CC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C21H29FN4O4/c1-12(25-19(29)15-5-4-14(18(23)24)11-16(15)22)21(2,3)20(30)26-8-6-13(7-9-26)10-17(27)28/h4-5,11-13H,6-10H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064926
(CHEMBL77404 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C22H32N4O4/c1-4-17(25-20(29)16-7-5-15(6-8-16)19(23)24)22(2,3)21(30)26-11-9-14(10-12-26)13-18(27)28/h5-8,14,17H,4,9-13H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064921
(CHEMBL75645 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H34N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h6-9,15,18H,4-5,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064927
(CHEMBL76845 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C21H30N4O4/c1-13(24-19(28)16-6-4-15(5-7-16)18(22)23)21(2,3)20(29)25-10-8-14(9-11-25)12-17(26)27/h4-7,13-14H,8-12H2,1-3H3,(H3,22,23)(H,24,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064928
(CHEMBL78119 | [1-(3-{2-Fluoro-4-[imino-(4-methyl-p...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1 Show InChI InChI=1S/C29H44FN5O4/c1-6-24(29(3,4)28(38)35-12-10-20(11-13-35)18-25(36)39-7-2)32-27(37)22-9-8-21(19-23(22)30)26(31)34-16-14-33(5)15-17-34/h8-9,19-20,24,31H,6-7,10-18H2,1-5H3,(H,32,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064931
(CHEMBL75623 | {1-[3-(2-Fluoro-4-{[4-(4-fluoro-phen...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C34H45F2N5O4/c1-5-29(34(3,4)33(44)41-15-13-23(14-16-41)21-30(42)45-6-2)38-32(43)27-12-7-24(22-28(27)36)31(37)40-19-17-39(18-20-40)26-10-8-25(35)9-11-26/h7-12,22-23,29,37H,5-6,13-21H2,1-4H3,(H,38,43) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064917
(CHEMBL74553 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...)Show SMILES CCCCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H35FN4O4/c1-4-5-6-19(28-22(32)17-8-7-16(21(26)27)14-18(17)25)24(2,3)23(33)29-11-9-15(10-12-29)13-20(30)31/h7-8,14-15,19H,4-6,9-13H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064918
(CHEMBL76882 | [1-(3-{2-Fluoro-4-[(4-hydroxy-piperi...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCC(O)CC1 Show InChI InChI=1S/C29H43FN4O5/c1-5-24(29(3,4)28(38)34-13-9-19(10-14-34)17-25(36)39-6-2)32-27(37)22-8-7-20(18-23(22)30)26(31)33-15-11-21(35)12-16-33/h7-8,18-19,21,24,31,35H,5-6,9-17H2,1-4H3,(H,32,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064939
((1-{3-[2-Fluoro-4-(imino-pyrrolidin-1-yl-methyl)-b...)Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCCC1 Show InChI InChI=1S/C28H41FN4O4/c1-5-23(28(3,4)27(36)33-15-11-19(12-16-33)17-24(34)37-6-2)31-26(35)21-10-9-20(18-22(21)29)25(30)32-13-7-8-14-32/h9-10,18-19,23,30H,5-8,11-17H2,1-4H3,(H,31,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064934
(CHEMBL76851 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H34N4O4/c1-14(2)19(26-21(30)17-7-5-16(6-8-17)20(24)25)23(3,4)22(31)27-11-9-15(10-12-27)13-18(28)29/h5-8,14-15,19H,9-13H2,1-4H3,(H3,24,25)(H,26,30)(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064919
(CHEMBL76960 | {1-[(E)-3-(4-Carbamimidoyl-benzoylam...)Show SMILES C\C=C\C(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H32N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h4-9,15,18H,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)/b5-4+ | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064932
(CHEMBL76555 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc2ccccc2c1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C30H34N4O4/c1-30(2,29(38)34-15-13-19(14-16-34)17-25(35)36)26(24-12-7-20-5-3-4-6-23(20)18-24)33-28(37)22-10-8-21(9-11-22)27(31)32/h3-12,18-19,26H,13-17H2,1-2H3,(H3,31,32)(H,33,37)(H,35,36) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064914
((1-{3-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-2,2...)Show SMILES CN(C(c1ccccc1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1)C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H34N4O4/c1-27(2,26(35)31-15-13-18(14-16-31)17-22(32)33)23(19-7-5-4-6-8-19)30(3)25(34)21-11-9-20(10-12-21)24(28)29/h4-12,18,23H,13-17H2,1-3H3,(H3,28,29)(H,32,33) | PDB
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| n/a | n/a | 21.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064937
(CHEMBL306374 | {1-[3-(4-Carbamimidoyl-benzoylamino...)Show SMILES CCCCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C25H38N4O4/c1-4-5-6-7-20(28-23(32)19-10-8-18(9-11-19)22(26)27)25(2,3)24(33)29-14-12-17(13-15-29)16-21(30)31/h8-11,17,20H,4-7,12-16H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31) | PDB
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| n/a | n/a | 22.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064923
(CHEMBL77192 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc(O)cc1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-13-11-16(12-14-30)15-21(32)33)22(17-7-9-20(31)10-8-17)29-24(34)19-5-3-18(4-6-19)23(27)28/h3-10,16,22,31H,11-15H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33) | PDB
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| n/a | n/a | 23.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064924
(CHEMBL416682 | {1-[3-(4-Carbamimidoyl-benzoylamino...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H32N4O4/c1-26(2,25(34)30-14-12-17(13-15-30)16-21(31)32)22(18-6-4-3-5-7-18)29-24(33)20-10-8-19(9-11-20)23(27)28/h3-11,17,22H,12-16H2,1-2H3,(H3,27,28)(H,29,33)(H,31,32) | PDB
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| n/a | n/a | 25.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064940
(CHEMBL77747 | {1-[3-(4-Carbamimidoyl-2-chloro-benz...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1Cl)C(N)=N)c1ccccc1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(17-6-4-3-5-7-17)30-24(34)19-9-8-18(23(28)29)15-20(19)27/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33) | PDB
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| n/a | n/a | 27.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064915
(CHEMBL306558 | {1-[3-(4-Carbamimidoyl-benzoylamino...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1cccc(Cl)c1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-12-10-16(11-13-31)14-21(32)33)22(19-4-3-5-20(27)15-19)30-24(34)18-8-6-17(7-9-18)23(28)29/h3-9,15-16,22H,10-14H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33) | PDB
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| n/a | n/a | 31.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064929
(CHEMBL73865 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc(Cl)cc1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H31ClN4O4/c1-26(2,25(35)31-13-11-16(12-14-31)15-21(32)33)22(17-7-9-20(27)10-8-17)30-24(34)19-5-3-18(4-6-19)23(28)29/h3-10,16,22H,11-15H2,1-2H3,(H3,28,29)(H,30,34)(H,32,33) | PDB
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| n/a | n/a | 34.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064936
(CHEMBL63360 | {1-[(E)-5-(4-Carbamimidoyl-phenyl)-2...)Show SMILES CC(C)(\C=C\C(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C21H27N3O4/c1-21(2,20(28)24-11-8-14(9-12-24)13-18(26)27)10-7-17(25)15-3-5-16(6-4-15)19(22)23/h3-7,10,14H,8-9,11-13H2,1-2H3,(H3,22,23)(H,26,27)/b10-7+ | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064925
(CHEMBL76668 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C28H36N4O4/c1-28(2,27(36)32-16-14-20(15-17-32)18-24(33)34)23(13-8-19-6-4-3-5-7-19)31-26(35)22-11-9-21(10-12-22)25(29)30/h3-7,9-12,20,23H,8,13-18H2,1-2H3,(H3,29,30)(H,31,35)(H,33,34) | PDB
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| n/a | n/a | 47.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064933
(CHEMBL68074 | {1-[3-(4-Carbamimidoyl-benzoylamino)...)Show SMILES CC(C)(CNC(=O)c1ccc(cc1)C(N)=N)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C20H28N4O4/c1-20(2,19(28)24-9-7-13(8-10-24)11-16(25)26)12-23-18(27)15-5-3-14(4-6-15)17(21)22/h3-6,13H,7-12H2,1-2H3,(H3,21,22)(H,23,27)(H,25,26) | PDB
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50064916
((1-{3-[(4-Carbamimidoyl-benzoyl)-prop-2-ynyl-amino...)Show SMILES CCCCC(N(CC#C)C(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C27H38N4O4/c1-5-7-8-22(27(3,4)26(35)30-16-13-19(14-17-30)18-23(32)33)31(15-6-2)25(34)21-11-9-20(10-12-21)24(28)29/h2,9-12,19,22H,5,7-8,13-18H2,1,3-4H3,(H3,28,29)(H,32,33) | PDB
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| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to human fibrinogen receptor |
J Med Chem 41: 2345-60 (1998)
Article DOI: 10.1021/jm980126v
BindingDB Entry DOI: 10.7270/Q2WD3ZPH |
More data for this
Ligand-Target Pair | |
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