BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2589 hits of ic50 for UniProtKB: P05106   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50123246
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(4-guanidino-phen...)
Show SMILES NC(N)=Nc1ccc(cc1)-c1ccc(s1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N5O5S2/c22-21(23)25-14-8-6-13(7-9-14)17-10-11-18(32-17)19(27)24-12-16(20(28)29)26-33(30,31)15-4-2-1-3-5-15/h1-11,16,26H,12H2,(H,24,27)(H,28,29)(H4,22,23,25)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00130n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to HT-29 cells expressing integrin alphaV-beta5


Bioorg Med Chem Lett 13: 503-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00942-3
BindingDB Entry DOI: 10.7270/Q25T3JVD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50123251
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-guanidinomethy...)
Show SMILES NC(N)=NCc1ccccc1-c1ccc(s1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H23N5O5S2/c23-22(24)26-12-14-6-4-5-9-16(14)18-10-11-19(33-18)20(28)25-13-17(21(29)30)27-34(31,32)15-7-2-1-3-8-15/h1-11,17,27H,12-13H2,(H,25,28)(H,29,30)(H4,23,24,26)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00580n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaV-beta3 receptor


Bioorg Med Chem Lett 13: 503-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00942-3
BindingDB Entry DOI: 10.7270/Q25T3JVD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104592
PNG
((S)-3-{[3-(2-Piperidin-4-yl-ethyl)-5,6,7,8-tetrahy...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H30N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,9,14-15,17-18,23H,2,4-8,10-13H2,(H,25,31)(H,29,30)/t17?,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0160n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50346317
PNG
((S)-3-(3-chloro-4-(4-(1,4,5,6-tetrahydropyrimidin-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(N2CCC(CC2)N=C2NCCCN2)c(Cl)c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H31ClN6O5S/c26-20-15-17(7-8-22(20)32-13-9-18(10-14-32)30-25-27-11-4-12-28-25)23(33)29-16-21(24(34)35)31-38(36,37)19-5-2-1-3-6-19/h1-3,5-8,15,18,21,31H,4,9-14,16H2,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0230n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at alpha2bbeta3 integrin receptor


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104598
PNG
(2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0270n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104602
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-v...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(C=CC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H32N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,8-9,17,19-20,26H,4,7,10-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0410n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104595
PNG
(2-Phenylmethanesulfonylamino-3-{[3-(2-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H32N6O5S/c31-23(26-15-20(24(32)33)29-36(34,35)16-18-5-2-1-3-6-18)19-7-4-14-30-21(27-28-22(19)30)9-8-17-10-12-25-13-11-17/h1-3,5-6,8-9,17,19-20,25,29H,4,7,10-16H2,(H,26,31)(H,32,33)/b9-8+/t19?,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0430n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104591
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H30N6O3/c33-24(34)15-22(19-14-18-4-1-2-6-21(18)28-16-19)29-26(35)20-5-3-13-32-23(30-31-25(20)32)8-7-17-9-11-27-12-10-17/h1-2,4,6-8,14,16-17,20,22,27H,3,5,9-13,15H2,(H,29,35)(H,33,34)/b8-7+/t20?,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0570n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104597
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0610n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104594
PNG
(2-Benzyloxycarbonylamino-3-{[3-(2-piperidin-4-yl-e...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(CCC3CCNCC3)nnc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H34N6O5/c32-23(27-15-20(24(33)34)28-25(35)36-16-18-5-2-1-3-6-18)19-7-4-14-31-21(29-30-22(19)31)9-8-17-10-12-26-13-11-17/h1-3,5-6,17,19-20,26H,4,7-16H2,(H,27,32)(H,28,35)(H,33,34)/t19?,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0680n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067222
PNG
(CHEMBL128906 | [6-(4-Carbamimidoyl-benzoylamino)-c...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2OCC(CC(O)=O)Cc2c1
Show InChI InChI=1S/C19H19N3O4/c20-18(21)12-1-3-13(4-2-12)19(25)22-15-5-6-16-14(9-15)7-11(10-26-16)8-17(23)24/h1-6,9,11H,7-8,10H2,(H3,20,21)(H,22,25)(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0730n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098971
PNG
(3-({3-Benzyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1Cc1ccccc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C23H23N5O4S/c1-14-19(22(32)26-12-11-18(29)30)33-23(28(14)13-15-5-3-2-4-6-15)27-21(31)17-9-7-16(8-10-17)20(24)25/h2-10H,11-13H2,1H3,(H3,24,25)(H,26,32)(H,29,30)/b27-23-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA


Bioorg Med Chem Lett 11: 1031-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00123-8
BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098965
PNG
(3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...)
Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C
Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA


Bioorg Med Chem Lett 11: 1031-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00123-8
BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067216
PNG
(CHEMBL129877 | {6-[4-(Imino-morpholin-4-yl-methyl)...)
Show SMILES OC(=O)CC1COc2ccc(NC(=O)c3ccc(cc3)C(=N)N3CCOCC3)cc2C1
Show InChI InChI=1S/C23H25N3O5/c24-22(26-7-9-30-10-8-26)16-1-3-17(4-2-16)23(29)25-19-5-6-20-18(13-19)11-15(14-31-20)12-21(27)28/h1-6,13,15,24H,7-12,14H2,(H,25,29)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0980n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083469
PNG
((R)-3-(5-Chloro-thiophen-2-yl)-3-{[(R)-1-(3-piperi...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(Cl)s1
Show InChI InChI=1S/C21H30ClN3O4S/c22-18-5-4-17(30-18)16(12-20(27)28)24-21(29)15-2-1-11-25(13-15)19(26)6-3-14-7-9-23-10-8-14/h4-5,14-16,23H,1-3,6-13H2,(H,24,29)(H,27,28)/t15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287969
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccs1
Show InChI InChI=1S/C21H31N3O4S/c25-19(6-5-15-7-9-22-10-8-15)24-11-1-3-16(14-24)21(28)23-17(13-20(26)27)18-4-2-12-29-18/h2,4,12,15-17,22H,1,3,5-11,13-14H2,(H,23,28)(H,26,27)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobilized integrin alpha IIb beta3


Bioorg Med Chem Lett 6: 2371-2376 (1996)


Article DOI: 10.1016/0960-894X(96)00438-6
BindingDB Entry DOI: 10.7270/Q26M36T2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50287978
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H34N4O4/c31-24(8-7-18-9-11-27-12-10-18)30-13-3-5-20(17-30)26(34)29-23(15-25(32)33)21-14-19-4-1-2-6-22(19)28-16-21/h1-2,4,6,14,16,18,20,23,27H,3,5,7-13,15,17H2,(H,29,34)(H,32,33)/t20-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobilized integrin alpha IIb beta3


Bioorg Med Chem Lett 6: 2371-2376 (1996)


Article DOI: 10.1016/0960-894X(96)00438-6
BindingDB Entry DOI: 10.7270/Q26M36T2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083490
PNG
((R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccs1
Show InChI InChI=1S/C21H31N3O4S/c25-19(6-5-15-7-9-22-10-8-15)24-11-1-3-16(14-24)21(28)23-17(13-20(26)27)18-4-2-12-29-18/h2,4,12,15-17,22H,1,3,5-11,13-14H2,(H,23,28)(H,26,27)/t16-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067217
PNG
(CHEMBL323649 | {(S)-6-[4-(Imino-morpholin-4-yl-met...)
Show SMILES OC(=O)C[C@H]1COc2ccc(NC(=O)c3ccc(cc3)C(=N)N3CCOCC3)cc2C1
Show InChI InChI=1S/C23H25N3O5/c24-22(26-7-9-30-10-8-26)16-1-3-17(4-2-16)23(29)25-19-5-6-20-18(13-19)11-15(14-31-20)12-21(27)28/h1-6,13,15,24H,7-12,14H2,(H,25,29)(H,27,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067228
PNG
(CHEMBL131823 | [7-(4-Carbamimidoyl-benzoylamino)-1...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CCC(CC(O)=O)Cc2c1
Show InChI InChI=1S/C20H21N3O3/c21-19(22)14-3-5-15(6-4-14)20(26)23-17-8-7-13-2-1-12(10-18(24)25)9-16(13)11-17/h3-8,11-12H,1-2,9-10H2,(H3,21,22)(H,23,26)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104596
PNG
(3-{[3-(2-Piperidin-4-yl-vinyl)-5,6,7,8-tetrahydro-...)
Show SMILES OC(=O)[C@H](CNC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C24H31N7O4/c32-21(13-17-3-1-9-26-14-17)28-19(24(34)35)15-27-23(33)18-4-2-12-31-20(29-30-22(18)31)6-5-16-7-10-25-11-8-16/h1,3,5-6,9,14,16,18-19,25H,2,4,7-8,10-13,15H2,(H,27,33)(H,28,32)(H,34,35)/b6-5+/t18?,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of thrombin-induced human gel-filtered platelet aggregation


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098967
PNG
(3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-ethyl-4...)
Show SMILES CCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O
Show InChI InChI=1S/C18H21N5O4S/c1-3-23-10(2)14(17(27)21-9-8-13(24)25)28-18(23)22-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,3,8-9H2,1-2H3,(H3,19,20)(H,21,27)(H,24,25)/b22-18-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of immobilized HUVEC adhesion on fibronectin


Bioorg Med Chem Lett 11: 1031-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00123-8
BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067224
PNG
(CHEMBL130437 | {6-[4-(N-Prop-2-ynylcarbamimidoyl)-...)
Show SMILES OC(=O)CC1COc2ccc(NC(=O)c3ccc(cc3)C(=N)NCC#C)cc2C1
Show InChI InChI=1S/C22H21N3O4/c1-2-9-24-21(23)15-3-5-16(6-4-15)22(28)25-18-7-8-19-17(12-18)10-14(13-29-19)11-20(26)27/h1,3-8,12,14H,9-11,13H2,(H2,23,24)(H,25,28)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083492
PNG
((S)-3-(6-Methyl-pyridin-3-yl)-3-{[(R)-1-(3-piperid...)
Show SMILES Cc1ccc(cn1)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C23H34N4O4/c1-16-4-6-18(14-25-16)20(13-22(29)30)26-23(31)19-3-2-12-27(15-19)21(28)7-5-17-8-10-24-11-9-17/h4,6,14,17,19-20,24H,2-3,5,7-13,15H2,1H3,(H,26,31)(H,29,30)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50098964
PNG
(3-({3-Butyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-4...)
Show SMILES CCCCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O
Show InChI InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)/b24-20-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor


Bioorg Med Chem Lett 11: 1031-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00123-8
BindingDB Entry DOI: 10.7270/Q29G5M2G
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067220
PNG
(CHEMBL130405 | {7-[4-(N-Propylcarbamimidoyl)-benzo...)
Show SMILES CCCNC(=N)c1ccc(cc1)C(=O)Nc1ccc2CCC(CC(O)=O)Cc2c1
Show InChI InChI=1S/C23H27N3O3/c1-2-11-25-22(24)17-5-7-18(8-6-17)23(29)26-20-10-9-16-4-3-15(13-21(27)28)12-19(16)14-20/h5-10,14-15H,2-4,11-13H2,1H3,(H2,24,25)(H,26,29)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083453
PNG
((S)-3-(6-Chloro-pyridin-3-yl)-3-{[(R)-1-(3-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(Cl)nc1
Show InChI InChI=1S/C22H31ClN4O4/c23-19-5-4-16(13-25-19)18(12-21(29)30)26-22(31)17-2-1-11-27(14-17)20(28)6-3-15-7-9-24-10-8-15/h4-5,13,15,17-18,24H,1-3,6-12,14H2,(H,26,31)(H,29,30)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104600
PNG
((S)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H32N4O4/c27-20(6-5-16-7-10-23-11-8-16)26-12-2-4-18(15-26)22(30)25-19(13-21(28)29)17-3-1-9-24-14-17/h1,3,9,14,16,18-19,23H,2,4-8,10-13,15H2,(H,25,30)(H,28,29)/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3


Bioorg Med Chem Lett 14: 5227-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.061
BindingDB Entry DOI: 10.7270/Q2TH8M5Z
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067218
PNG
(CHEMBL130878 | {7-[4-(Imino-morpholin-4-yl-methyl)...)
Show SMILES OC(=O)CC1CCc2ccc(NC(=O)c3ccc(cc3)C(=N)N3CCOCC3)cc2C1
Show InChI InChI=1S/C24H27N3O4/c25-23(27-9-11-31-12-10-27)18-3-5-19(6-4-18)24(30)26-21-8-7-17-2-1-16(14-22(28)29)13-20(17)15-21/h3-8,15-16,25H,1-2,9-14H2,(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067223
PNG
(CHEMBL130892 | {7-[4-(N-Prop-2-ynylcarbamimidoyl)-...)
Show SMILES OC(=O)CC1CCc2ccc(NC(=O)c3ccc(cc3)C(=N)NCC#C)cc2C1
Show InChI InChI=1S/C23H23N3O3/c1-2-11-25-22(24)17-5-7-18(8-6-17)23(29)26-20-10-9-16-4-3-15(13-21(27)28)12-19(16)14-20/h1,5-10,14-15H,3-4,11-13H2,(H2,24,25)(H,26,29)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50123253
PNG
((S)-3-{[5-(3-Guanidinomethyl-phenyl)-thiophene-2-c...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(s1)-c1cccc(CNC(N)=N)c1)C(O)=O
Show InChI InChI=1S/C25H29N5O5S2/c1-14-9-15(2)22(16(3)10-14)37(34,35)30-19(24(32)33)13-28-23(31)21-8-7-20(36-21)18-6-4-5-17(11-18)12-29-25(26)27/h4-11,19,30H,12-13H2,1-3H3,(H,28,31)(H,32,33)(H4,26,27,29)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to K562 cells expressing integrin alphaV-beta3


Bioorg Med Chem Lett 13: 503-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00942-3
BindingDB Entry DOI: 10.7270/Q25T3JVD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104598
PNG
(2-Benzyloxycarbonylamino-3-{[(R)-1-(3-piperidin-4-...)
Show SMILES OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H36N4O6/c30-22(9-8-18-10-12-26-13-11-18)29-14-4-7-20(16-29)23(31)27-15-21(24(32)33)28-25(34)35-17-19-5-2-1-3-6-19/h1-3,5-6,18,20-21,26H,4,7-17H2,(H,27,31)(H,28,34)(H,32,33)/t20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50346319
PNG
((S)-3-(3-fluoro-4-(4-(1,4,5,6-tetrahydropyrimidin-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(N2CCC(CC2)N=C2NCCCN2)c(F)c1)NS(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C25H31FN6O6S/c26-20-14-16(2-7-22(20)32-12-8-17(9-13-32)30-25-27-10-1-11-28-25)23(34)29-15-21(24(35)36)31-39(37,38)19-5-3-18(33)4-6-19/h2-7,14,17,21,31,33H,1,8-13,15H2,(H,29,34)(H,35,36)(H2,27,28,30)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at alpha2bbeta3 integrin receptor


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083466
PNG
((R)-3-{[(R)-1-(3-Piperidin-4-yl-propionyl)-piperid...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H34N4O4/c31-24(8-7-18-9-11-27-12-10-18)30-13-3-5-20(17-30)26(34)29-23(15-25(32)33)21-14-19-4-1-2-6-22(19)28-16-21/h1-2,4,6,14,16,18,20,23,27H,3,5,7-13,15,17H2,(H,29,34)(H,32,33)/t20-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067227
PNG
(CHEMBL128539 | {7-[4-(N-Furan-2-ylmethyl-carbamimi...)
Show SMILES NC(=NCc1ccco1)c1ccc(cc1)C(=O)Nc1ccc2CCC(CC(O)=O)Cc2c1
Show InChI InChI=1S/C25H25N3O4/c26-24(27-15-22-2-1-11-32-22)18-5-7-19(8-6-18)25(31)28-21-10-9-17-4-3-16(13-23(29)30)12-20(17)14-21/h1-2,5-11,14,16H,3-4,12-13,15H2,(H2,26,27)(H,28,31)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50346318
PNG
((S)-3-(3-fluoro-4-(4-(1,4,5,6-tetrahydropyrimidin-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(N2CCC(CC2)N=C2NCCCN2)c(F)c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H31FN6O5S/c26-20-15-17(7-8-22(20)32-13-9-18(10-14-32)30-25-27-11-4-12-28-25)23(33)29-16-21(24(34)35)31-38(36,37)19-5-2-1-3-6-19/h1-3,5-8,15,18,21,31H,4,9-14,16H2,(H,29,33)(H,34,35)(H2,27,28,30)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at alpha2bbeta3 integrin receptor


J Med Chem 54: 1539-54 (2011)


Article DOI: 10.1021/jm101356p
BindingDB Entry DOI: 10.7270/Q27S7P30
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083456
PNG
((S)-3-(5-Bromo-pyridin-3-yl)-3-{[(R)-1-(3-piperidi...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(Br)c1
Show InChI InChI=1S/C22H31BrN4O4/c23-18-10-17(12-25-13-18)19(11-21(29)30)26-22(31)16-2-1-9-27(14-16)20(28)4-3-15-5-7-24-8-6-15/h10,12-13,15-16,19,24H,1-9,11,14H2,(H,26,31)(H,29,30)/t16-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50104597
PNG
((S)-3-{[3-((E)-2-Piperidin-4-yl-vinyl)-5,6,7,8-tet...)
Show SMILES OC(=O)C[C@H](NC(=O)C1CCCn2c(\C=C\C3CCNCC3)nnc12)c1cccnc1
Show InChI InChI=1S/C22H28N6O3/c29-20(30)13-18(16-3-1-9-24-14-16)25-22(31)17-4-2-12-28-19(26-27-21(17)28)6-5-15-7-10-23-11-8-15/h1,3,5-6,9,14-15,17-18,23H,2,4,7-8,10-13H2,(H,25,31)(H,29,30)/b6-5+/t17?,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa


Bioorg Med Chem Lett 11: 2619-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00529-7
BindingDB Entry DOI: 10.7270/Q2DB8141
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062810
PNG
(3-{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCC(=O)N1CCN(CC(O)=O)C(=O)[C@@H]1CCC(O)=O
Show InChI InChI=1S/C19H23N5O7/c20-17(21)11-1-3-12(4-2-11)18(30)22-9-14(25)24-8-7-23(10-16(28)29)19(31)13(24)5-6-15(26)27/h1-4,13H,5-10H2,(H3,20,21)(H,22,30)(H,26,27)(H,28,29)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083479
PNG
((R)-5-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C#Cc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083496
PNG
((R)-3-Benzo[1,3]dioxol-5-yl-3-({(R)-1-[3-(1-methyl...)
Show SMILES CN1CCC(CCC(=O)N2CCC[C@H](C2)C(=O)N[C@H](CC(O)=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H35N3O6/c1-27-11-8-17(9-12-27)4-7-23(29)28-10-2-3-19(15-28)25(32)26-20(14-24(30)31)18-5-6-21-22(13-18)34-16-33-21/h5-6,13,17,19-20H,2-4,7-12,14-16H2,1H3,(H,26,32)(H,30,31)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083455
PNG
((S)-3-(5-Ethynyl-pyridin-3-yl)-3-{[(R)-1-(3-piperi...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)C#C
Show InChI InChI=1S/C24H32N4O4/c1-2-17-12-20(15-26-14-17)21(13-23(30)31)27-24(32)19-4-3-11-28(16-19)22(29)6-5-18-7-9-25-10-8-18/h1,12,14-15,18-19,21,25H,3-11,13,16H2,(H,27,32)(H,30,31)/t19-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058855
PNG
((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...)
Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of platelet aggregation in heparin treated human platelet rich plasma (PRP)


Bioorg Med Chem Lett 9: 123-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00709-4
BindingDB Entry DOI: 10.7270/Q2P55MND
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50123252
PNG
((S)-2-Benzenesulfonylamino-3-{[5-(2-guanidino-phen...)
Show SMILES NC(N)=Nc1ccccc1-c1ccc(s1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H21N5O5S2/c22-21(23)25-15-9-5-4-8-14(15)17-10-11-18(32-17)19(27)24-12-16(20(28)29)26-33(30,31)13-6-2-1-3-7-13/h1-11,16,26H,12H2,(H,24,27)(H,28,29)(H4,22,23,25)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to K562 cells expressing integrin alpha5-beta1


Bioorg Med Chem Lett 13: 503-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00942-3
BindingDB Entry DOI: 10.7270/Q25T3JVD
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058855
PNG
((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...)
Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to purified platelet Fibrinogen Receptor


J Med Chem 40: 2064-84 (1997)


Article DOI: 10.1021/jm960799i
BindingDB Entry DOI: 10.7270/Q2DB82HC
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067230
PNG
(CHEMBL131593 | {7-[4-(N-Allylcarbamimidoyl)-benzoy...)
Show SMILES OC(=O)CC1CCc2ccc(NC(=O)c3ccc(cc3)C(=N)NCC=C)cc2C1
Show InChI InChI=1S/C23H25N3O3/c1-2-11-25-22(24)17-5-7-18(8-6-17)23(29)26-20-10-9-16-4-3-15(13-21(27)28)12-19(16)14-20/h2,5-10,14-15H,1,3-4,11-13H2,(H2,24,25)(H,26,29)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062797
PNG
(3-{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]...)
Show SMILES COC(=O)CC[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C20H25N5O7/c1-32-17(29)7-6-14-20(31)24(11-16(27)28)8-9-25(14)15(26)10-23-19(30)13-4-2-12(3-5-13)18(21)22/h2-5,14H,6-11H2,1H3,(H3,21,22)(H,23,30)(H,27,28)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50083467
PNG
((S)-5-Phenyl-3-{[(R)-1-(3-piperidin-4-yl-propionyl...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)C#Cc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c29-23(11-9-20-12-14-26-15-13-20)28-16-4-7-21(18-28)25(32)27-22(17-24(30)31)10-8-19-5-2-1-3-6-19/h1-3,5-6,20-22,26H,4,7,9,11-18H2,(H,27,32)(H,30,31)/t21-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of biotinylated fibrinogen binding to immobolized fibrinogen receptor.


J Med Chem 42: 5254-65 (2000)


Article DOI: 10.1021/jm990418b
BindingDB Entry DOI: 10.7270/Q2BV7FT4
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50123247
PNG
((S)-3-{[5-(3-Guanidino-phenyl)-thiophene-2-carbony...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(s1)-c1cccc(c1)N=C(N)N)C(O)=O
Show InChI InChI=1S/C24H27N5O5S2/c1-13-9-14(2)21(15(3)10-13)36(33,34)29-18(23(31)32)12-27-22(30)20-8-7-19(35-20)16-5-4-6-17(11-16)28-24(25)26/h4-11,18,29H,12H2,1-3H3,(H,27,30)(H,31,32)(H4,25,26,28)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to integrin alphaV-beta3 receptor


Bioorg Med Chem Lett 13: 503-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00942-3
BindingDB Entry DOI: 10.7270/Q25T3JVD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2589 total )  |  Next  |  Last  >>
Jump to: