Found 8 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)) | BDBM50004338
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEBI
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen receptor binding |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004338
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEBI
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of platelet aggregation (PRP) |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004341
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEBI
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of 125 I-Fibrinogen binding to Fibrinogen receptor |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004341
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEBI
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of platelet aggregation (PRP) |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50003851
((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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen receptor binding |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004339
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEBI
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen receptor binding |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50003851
((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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of platelet aggregation (PRP) |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004339
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEBI
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Searle Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of platelet aggregation (PRP) |
J Med Chem 35: 4914-7 (1993)
Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS |
More data for this
Ligand-Target Pair | |
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