Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50029646 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)) | BDBM50286537
(3-{[1-Oxo-2-(2-piperidin-4-yl-ethyl)-1,2,3,4-tetra...)Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2c1 Show InChI InChI=1S/C18H26N4O4/c23-16(24)3-7-20-17(25)14-11-15-18(26)21(9-10-22(15)12-14)8-4-13-1-5-19-6-2-13/h11-13,19H,1-10H2,(H,20,25)(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286535
(3-{[8-Methyl-1-oxo-2-(2-piperidin-4-yl-ethyl)-1,2,...)Show SMILES Cc1c(cn2CCN(CCC3CCNCC3)C(=O)c12)C(=O)NCCC(O)=O Show InChI InChI=1S/C19H28N4O4/c1-13-15(18(26)21-8-4-16(24)25)12-23-11-10-22(19(27)17(13)23)9-5-14-2-6-20-7-3-14/h12,14,20H,2-11H2,1H3,(H,21,26)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286527
(3-{[1-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3,4,5-tetra...)Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2c1 Show InChI InChI=1S/C19H28N4O4/c24-17(25)4-8-21-18(26)15-12-16-19(27)22(9-1-10-23(16)13-15)11-5-14-2-6-20-7-3-14/h12-14,20H,1-11H2,(H,21,26)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058238
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-4,5,6,7-tetra...)Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1 Show InChI InChI=1S/C17H25N5O4/c23-15(24)3-7-19-16(25)13-11-14-17(26)21(9-10-22(14)20-13)8-4-12-1-5-18-6-2-12/h11-12,18H,1-10H2,(H,19,25)(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50058240
(3-{[4-Oxo-5-(2-piperidin-4-yl-ethyl)-5,6,7,8-tetra...)Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)4-8-20-17(26)14-12-15-18(27)22(9-1-10-23(15)21-14)11-5-13-2-6-19-7-3-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 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 fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286531
(3-{[9-Methyl-1-oxo-2-(2-piperidin-4-yl-ethyl)-2,3,...)Show SMILES Cc1c(cn2CCCN(CCC3CCNCC3)C(=O)c12)C(=O)NCCC(O)=O Show InChI InChI=1S/C20H30N4O4/c1-14-16(19(27)22-9-5-17(25)26)13-24-11-2-10-23(20(28)18(14)24)12-6-15-3-7-21-8-4-15/h13,15,21H,2-12H2,1H3,(H,22,27)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286534
(3-{[4-Oxo-5-(3-piperidin-4-yl-propyl)-4,5,6,7-tetr...)Show SMILES OC(=O)CCNC(=O)c1cc2C(=O)N(CCCC3CCNCC3)CCn2n1 Show InChI InChI=1S/C18H27N5O4/c24-16(25)5-8-20-17(26)14-12-15-18(27)22(10-11-23(15)21-14)9-1-2-13-3-6-19-7-4-13/h12-13,19H,1-11H2,(H,20,26)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286536
(CHEMBL145804 | {[4-Oxo-5-(3-piperidin-4-yl-propyl)...)Show SMILES OC(=O)CNC(=O)c1cc2C(=O)N(CCCC3CCNCC3)CCn2n1 Show InChI InChI=1S/C17H25N5O4/c23-15(24)11-19-16(25)13-10-14-17(26)21(8-9-22(14)20-13)7-1-2-12-3-5-18-6-4-12/h10,12,18H,1-9,11H2,(H,19,25)(H,23,24) | PDB
KEGG
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286532
(4-[(4-Oxo-5-piperidin-4-ylmethyl-4,5,6,7-tetrahydr...)Show SMILES OC(=O)CCCNC(=O)c1cc2C(=O)N(CC3CCNCC3)CCn2n1 Show InChI InChI=1S/C17H25N5O4/c23-15(24)2-1-5-19-16(25)13-10-14-17(26)21(8-9-22(14)20-13)11-12-3-6-18-7-4-12/h10,12,18H,1-9,11H2,(H,19,25)(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50241180
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1 | PDB
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286530
(3-[4-Oxo-2-(2-piperidin-4-yl-ethylcarbamoyl)-6,7-d...)Show InChI InChI=1S/C17H25N5O4/c23-15(24)4-8-21-9-10-22-14(17(21)26)11-13(20-22)16(25)19-7-3-12-1-5-18-6-2-12/h11-12,18H,1-10H2,(H,19,25)(H,23,24) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286533
(3-[(4-Oxo-5-piperidin-4-ylmethyl-4,5,6,7-tetrahydr...)Show InChI InChI=1S/C16H23N5O4/c22-14(23)3-6-18-15(24)12-9-13-16(25)20(7-8-21(13)19-12)10-11-1-4-17-5-2-11/h9,11,17H,1-8,10H2,(H,18,24)(H,22,23) | PDB
KEGG
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50286529
(3-{[1-Oxo-9-phenyl-2-(2-piperidin-4-yl-ethyl)-2,3,...)Show SMILES OC(=O)CCNC(=O)c1cn2CCCN(CCC3CCNCC3)C(=O)c2c1-c1ccccc1 Show InChI InChI=1S/C25H32N4O4/c30-21(31)9-13-27-24(32)20-17-29-15-4-14-28(16-10-18-7-11-26-12-8-18)25(33)23(29)22(20)19-5-2-1-3-6-19/h1-3,5-6,17-18,26H,4,7-16H2,(H,27,32)(H,30,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets |
Bioorg Med Chem Lett 5: 475-480 (1995)
Article DOI: 10.1016/0960-894X(95)00057-Z
BindingDB Entry DOI: 10.7270/Q2N879RH |
More data for this
Ligand-Target Pair | |
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