Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50014714 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-3
(Homo sapiens (Human)) | BDBM50146490
(3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146492
(3-Benzo[1,3]dioxol-5-yl-3-({1-[2-fluoro-5-(1,4,5,6...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cc(NC2=NCCCN2)ccc1F)c1ccc2OCOc2c1 |t:19| Show InChI InChI=1S/C25H26FN5O6/c26-17-4-3-16(29-25-27-6-1-7-28-25)10-19(17)31-12-15(9-22(31)32)24(35)30-18(11-23(33)34)14-2-5-20-21(8-14)37-13-36-20/h2-5,8,10,15,18H,1,6-7,9,11-13H2,(H,30,35)(H,33,34)(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146497
(3-Benzo[1,3]dioxol-5-yl-3-({5-oxo-1-[3-(1,4,5,6-te...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146493
(3-({5-Oxo-1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-yla...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1cccnc1 |t:21| Show InChI InChI=1S/C23H26N6O4/c30-20-10-16(22(33)28-19(12-21(31)32)15-4-2-7-24-13-15)14-29(20)18-6-1-5-17(11-18)27-23-25-8-3-9-26-23/h1-2,4-7,11,13,16,19H,3,8-10,12,14H2,(H,28,33)(H,31,32)(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146481
(3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(3-benzyl-ureido)...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28N4O7/c34-26-12-20(28(37)32-23(14-27(35)36)19-9-10-24-25(11-19)40-17-39-24)16-33(26)22-8-4-7-21(13-22)31-29(38)30-15-18-5-2-1-3-6-18/h1-11,13,20,23H,12,14-17H2,(H,32,37)(H,35,36)(H2,30,31,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146488
(3-{[1-(2-Fluoro-5-guanidino-phenyl)-5-oxo-pyrrolid...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(F)c(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1 Show InChI InChI=1S/C20H21FN6O4/c21-14-4-3-13(25-20(22)23)7-16(14)27-10-12(6-17(27)28)19(31)26-15(8-18(29)30)11-2-1-5-24-9-11/h1-5,7,9,12,15H,6,8,10H2,(H,26,31)(H,29,30)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146482
(3-({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-pheny...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCN2)c1)c1cccnc1 |t:21| Show InChI InChI=1S/C22H24N6O4/c29-19-9-15(21(32)27-18(11-20(30)31)14-3-2-6-23-12-14)13-28(19)17-5-1-4-16(10-17)26-22-24-7-8-25-22/h1-6,10,12,15,18H,7-9,11,13H2,(H,27,32)(H,30,31)(H2,24,25,26) | PDB
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antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146485
(3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146496
((S)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146495
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccnc1 Show InChI InChI=1S/C27H27N5O5/c33-24-12-20(26(36)31-23(14-25(34)35)19-8-5-11-28-16-19)17-32(24)22-10-4-9-21(13-22)30-27(37)29-15-18-6-2-1-3-7-18/h1-11,13,16,20,23H,12,14-15,17H2,(H,31,36)(H,34,35)(H2,29,30,37) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146484
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146489
(3-{[1-(3-Guanidino-phenyl)-5-oxo-pyrrolidine-3-car...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1 Show InChI InChI=1S/C20H22N6O4/c21-20(22)24-14-4-1-5-15(8-14)26-11-13(7-17(26)27)19(30)25-16(9-18(28)29)12-3-2-6-23-10-12/h1-6,8,10,13,16H,7,9,11H2,(H,25,30)(H,28,29)(H4,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146494
(3-{[1-(2-Chloro-5-guanidino-phenyl)-5-oxo-pyrrolid...)Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(Cl)c(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1 Show InChI InChI=1S/C20H21ClN6O4/c21-14-4-3-13(25-20(22)23)7-16(14)27-10-12(6-17(27)28)19(31)26-15(8-18(29)30)11-2-1-5-24-9-11/h1-5,7,9,12,15H,6,8,10H2,(H,26,31)(H,29,30)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146491
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O5/c33-25-14-21(27(36)31-24(16-26(34)35)20-10-5-2-6-11-20)18-32(25)23-13-7-12-22(15-23)30-28(37)29-17-19-8-3-1-4-9-19/h1-13,15,21,24H,14,16-18H2,(H,31,36)(H,34,35)(H2,29,30,37) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146483
((R)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146486
((S)-3-({(S)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146487
(3-({(S)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrro...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m0/s1 | PDB
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| CHEMBL
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PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50146490
(3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19+/m1/s1 | PDB
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antibodypedia
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| CHEMBL
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PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50146486
((S)-3-({(S)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m0/s1 | PDB
KEGG
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antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50146496
((S)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50146487
(3-({(S)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrro...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50146485
(3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1 | PDB
KEGG
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50146483
((R)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1 Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
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