Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50012570 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-V/beta-5
(Homo sapiens (Human)) | BDBM50120519
((7-{[4-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-bu...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc12 |c:21,t:15| Show InChI InChI=1S/C22H30N4O3/c27-20(7-3-10-23-22-24-11-4-12-25-22)26-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-21(28)29/h1-2,5-6,8,18H,3-4,7,9-15H2,(H,26,27)(H,28,29)(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120520
((7-{[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc12 |c:20,t:15| Show InChI InChI=1S/C21H28N4O3/c26-19(6-3-9-22-21-23-10-11-24-21)25-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(27)28/h1-2,4-5,7,17H,3,6,8-14H2,(H,25,26)(H,27,28)(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120519
((7-{[4-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-bu...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc12 |c:21,t:15| Show InChI InChI=1S/C22H30N4O3/c27-20(7-3-10-23-22-24-11-4-12-25-22)26-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-21(28)29/h1-2,5-6,8,18H,3-4,7,9-15H2,(H,26,27)(H,28,29)(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120520
((7-{[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc12 |c:20,t:15| Show InChI InChI=1S/C21H28N4O3/c26-19(6-3-9-22-21-23-10-11-24-21)25-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(27)28/h1-2,4-5,7,17H,3,6,8-14H2,(H,25,26)(H,27,28)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120517
(CHEMBL109703 | {7-[(4-5,6,7,8-Tetrahydro-[1,8]naph...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25| Show InChI InChI=1S/C26H31N3O3/c30-24(9-3-7-22-13-12-20-6-4-14-27-26(20)29-22)28-17-18-10-11-19-5-1-2-8-23(19)21(15-18)16-25(31)32/h1-2,5,8,10,12-13,21H,3-4,6-7,9,11,14-17H2,(H,27,29)(H,28,30)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120517
(CHEMBL109703 | {7-[(4-5,6,7,8-Tetrahydro-[1,8]naph...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25| Show InChI InChI=1S/C26H31N3O3/c30-24(9-3-7-22-13-12-20-6-4-14-27-26(20)29-22)28-17-18-10-11-19-5-1-2-8-23(19)21(15-18)16-25(31)32/h1-2,5,8,10,12-13,21H,3-4,6-7,9,11,14-17H2,(H,27,29)(H,28,30)(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120523
((7-{[4-(1H-Benzoimidazol-2-ylamino)-butyrylamino]-...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12 |c:25| Show InChI InChI=1S/C25H28N4O3/c30-23(10-5-13-26-25-28-21-8-3-4-9-22(21)29-25)27-16-17-11-12-18-6-1-2-7-20(18)19(14-17)15-24(31)32/h1-4,6-9,11,19H,5,10,12-16H2,(H,27,30)(H,31,32)(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120523
((7-{[4-(1H-Benzoimidazol-2-ylamino)-butyrylamino]-...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12 |c:25| Show InChI InChI=1S/C25H28N4O3/c30-23(10-5-13-26-25-28-21-8-3-4-9-22(21)29-25)27-16-17-11-12-18-6-1-2-7-20(18)19(14-17)15-24(31)32/h1-4,6-9,11,19H,5,10,12-16H2,(H,27,30)(H,31,32)(H2,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120516
((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(9-5-13-25-21-8-3-4-12-24-21)26-16-17-10-11-18-6-1-2-7-20(18)19(14-17)15-23(28)29/h1-4,6-8,10,12,19H,5,9,11,13-16H2,(H,24,25)(H,26,27)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120518
((7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc12 |c:22| Show InChI InChI=1S/C24H29N3O3/c28-23(10-4-6-14-26-22-9-3-5-13-25-22)27-17-18-11-12-19-7-1-2-8-21(19)20(15-18)16-24(29)30/h1-3,5,7-9,11,13,20H,4,6,10,12,14-17H2,(H,25,26)(H,27,28)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120516
((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(9-5-13-25-21-8-3-4-12-24-21)26-16-17-10-11-18-6-1-2-7-20(18)19(14-17)15-23(28)29/h1-4,6-8,10,12,19H,5,9,11,13-16H2,(H,24,25)(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120518
((7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc12 |c:22| Show InChI InChI=1S/C24H29N3O3/c28-23(10-4-6-14-26-22-9-3-5-13-25-22)27-17-18-11-12-19-7-1-2-8-21(19)20(15-18)16-24(29)30/h1-3,5,7-9,11,13,20H,4,6,10,12,14-17H2,(H,25,26)(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120522
((7-{[4-(Thiazol-2-ylamino)-butyrylamino]-methyl}-6...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nccs2)=CCc2ccccc12 |c:20| Show InChI InChI=1S/C21H25N3O3S/c25-19(6-3-9-22-21-23-10-11-28-21)24-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(26)27/h1-2,4-5,7,10-11,17H,3,6,8-9,12-14H2,(H,22,23)(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120515
((7-{[3-(Pyridin-2-ylamino)-propionylamino]-methyl}...)Show SMILES OC(=O)CC1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc12 |c:20| Show InChI InChI=1S/C22H25N3O3/c26-21(10-12-24-20-7-3-4-11-23-20)25-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-22(27)28/h1-8,11,18H,9-10,12-15H2,(H,23,24)(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120521
((7-{[4-(Methyl-pyridin-2-yl-amino)-butyrylamino]-m...)Show SMILES CN(CCCC(=O)NCC1=CCc2ccccc2C(CC(O)=O)C1)c1ccccn1 |t:9| Show InChI InChI=1S/C24H29N3O3/c1-27(22-9-4-5-13-25-22)14-6-10-23(28)26-17-18-11-12-19-7-2-3-8-21(19)20(15-18)16-24(29)30/h2-5,7-9,11,13,20H,6,10,12,14-17H2,1H3,(H,26,28)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120522
((7-{[4-(Thiazol-2-ylamino)-butyrylamino]-methyl}-6...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nccs2)=CCc2ccccc12 |c:20| Show InChI InChI=1S/C21H25N3O3S/c25-19(6-3-9-22-21-23-10-11-28-21)24-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(26)27/h1-2,4-5,7,10-11,17H,3,6,8-9,12-14H2,(H,22,23)(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120521
((7-{[4-(Methyl-pyridin-2-yl-amino)-butyrylamino]-m...)Show SMILES CN(CCCC(=O)NCC1=CCc2ccccc2C(CC(O)=O)C1)c1ccccn1 |t:9| Show InChI InChI=1S/C24H29N3O3/c1-27(22-9-4-5-13-25-22)14-6-10-23(28)26-17-18-11-12-19-7-2-3-8-21(19)20(15-18)16-24(29)30/h2-5,7-9,11,13,20H,6,10,12,14-17H2,1H3,(H,26,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120520
((7-{[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc12 |c:20,t:15| Show InChI InChI=1S/C21H28N4O3/c26-19(6-3-9-22-21-23-10-11-24-21)25-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(27)28/h1-2,4-5,7,17H,3,6,8-14H2,(H,25,26)(H,27,28)(H2,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50120524
(CHEMBL421890 | [7-({3-[(Pyridin-2-ylmethyl)-amino]...)Show SMILES OC(=O)CC1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(10-12-24-16-20-6-3-4-11-25-20)26-15-17-8-9-18-5-1-2-7-21(18)19(13-17)14-23(28)29/h1-8,11,19,24H,9-10,12-16H2,(H,26,27)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
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UniChem
| PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120519
((7-{[4-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-bu...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc12 |c:21,t:15| Show InChI InChI=1S/C22H30N4O3/c27-20(7-3-10-23-22-24-11-4-12-25-22)26-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-21(28)29/h1-2,5-6,8,18H,3-4,7,9-15H2,(H,26,27)(H,28,29)(H2,23,24,25) | PDB
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| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120524
(CHEMBL421890 | [7-({3-[(Pyridin-2-ylmethyl)-amino]...)Show SMILES OC(=O)CC1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(10-12-24-16-20-6-3-4-11-25-20)26-15-17-8-9-18-5-1-2-7-21(18)19(13-17)14-23(28)29/h1-8,11,19,24H,9-10,12-16H2,(H,26,27)(H,28,29) | PDB
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| n/a | n/a | 552 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120515
((7-{[3-(Pyridin-2-ylamino)-propionylamino]-methyl}...)Show SMILES OC(=O)CC1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc12 |c:20| Show InChI InChI=1S/C22H25N3O3/c26-21(10-12-24-20-7-3-4-11-23-20)25-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-22(27)28/h1-8,11,18H,9-10,12-15H2,(H,23,24)(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 584 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120521
((7-{[4-(Methyl-pyridin-2-yl-amino)-butyrylamino]-m...)Show SMILES CN(CCCC(=O)NCC1=CCc2ccccc2C(CC(O)=O)C1)c1ccccn1 |t:9| Show InChI InChI=1S/C24H29N3O3/c1-27(22-9-4-5-13-25-22)14-6-10-23(28)26-17-18-11-12-19-7-2-3-8-21(19)20(15-18)16-24(29)30/h2-5,7-9,11,13,20H,6,10,12,14-17H2,1H3,(H,26,28)(H,29,30) | PDB
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| n/a | n/a | 667 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50120524
(CHEMBL421890 | [7-({3-[(Pyridin-2-ylmethyl)-amino]...)Show SMILES OC(=O)CC1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(10-12-24-16-20-6-3-4-11-25-20)26-15-17-8-9-18-5-1-2-7-21(18)19(13-17)14-23(28)29/h1-8,11,19,24H,9-10,12-16H2,(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 842 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120523
((7-{[4-(1H-Benzoimidazol-2-ylamino)-butyrylamino]-...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12 |c:25| Show InChI InChI=1S/C25H28N4O3/c30-23(10-5-13-26-25-28-21-8-3-4-9-22(21)29-25)27-16-17-11-12-18-6-1-2-7-20(18)19(14-17)15-24(31)32/h1-4,6-9,11,19H,5,10,12-16H2,(H,27,30)(H,31,32)(H2,26,28,29) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of fibrinogen from Human integrin alphaIIb-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120518
((7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc12 |c:22| Show InChI InChI=1S/C24H29N3O3/c28-23(10-4-6-14-26-22-9-3-5-13-25-22)27-17-18-11-12-19-7-1-2-8-21(19)20(15-18)16-24(29)30/h1-3,5,7-9,11,13,20H,4,6,10,12,14-17H2,(H,25,26)(H,27,28)(H,29,30) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120517
(CHEMBL109703 | {7-[(4-5,6,7,8-Tetrahydro-[1,8]naph...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25| Show InChI InChI=1S/C26H31N3O3/c30-24(9-3-7-22-13-12-20-6-4-14-27-26(20)29-22)28-17-18-10-11-19-5-1-2-8-23(19)21(15-18)16-25(31)32/h1-2,5,8,10,12-13,21H,3-4,6-7,9,11,14-17H2,(H,27,29)(H,28,30)(H,31,32) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from Human integrin alphaV-beta3 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120515
((7-{[3-(Pyridin-2-ylamino)-propionylamino]-methyl}...)Show SMILES OC(=O)CC1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc12 |c:20| Show InChI InChI=1S/C22H25N3O3/c26-21(10-12-24-20-7-3-4-11-23-20)25-15-16-8-9-17-5-1-2-6-19(17)18(13-16)14-22(27)28/h1-8,11,18H,9-10,12-15H2,(H,23,24)(H,25,26)(H,27,28) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120516
((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12 |c:21| Show InChI InChI=1S/C23H27N3O3/c27-22(9-5-13-25-21-8-3-4-12-24-21)26-16-17-10-11-18-6-1-2-7-20(18)19(14-17)15-23(28)29/h1-4,6-8,10,12,19H,5,9,11,13-16H2,(H,24,25)(H,26,27)(H,28,29) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50120522
((7-{[4-(Thiazol-2-ylamino)-butyrylamino]-methyl}-6...)Show SMILES OC(=O)CC1CC(CNC(=O)CCCNc2nccs2)=CCc2ccccc12 |c:20| Show InChI InChI=1S/C21H25N3O3S/c25-19(6-3-9-22-21-23-10-11-28-21)24-14-15-7-8-16-4-1-2-5-18(16)17(12-15)13-20(26)27/h1-2,4-5,7,10-11,17H,3,6,8-9,12-14H2,(H,22,23)(H,24,25)(H,26,27) | PDB
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| CHEMBL
PC cid
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Displacement of vitronectin from human integrin alphaV-beta5 |
Bioorg Med Chem Lett 12: 3291-6 (2002)
BindingDB Entry DOI: 10.7270/Q2TX3DRB |
More data for this
Ligand-Target Pair | |
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