Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50042293 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-5/beta-1
(Homo sapiens (Human)) | BDBM50423726
(CHEMBL594161)Show SMILES Cc1ccnc(NCc2cn(nn2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C28H30N6O3/c1-17-9-10-29-25(13-17)30-15-22-16-34(33-32-22)23-7-5-21(6-8-23)14-24(28(36)37)31-27(35)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,29,30)(H,31,35)(H,36,37)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423728
(CHEMBL593938)Show SMILES Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H34N4O4/c1-18-9-10-31-26(13-18)32-16-23-15-27(35)34(17-23)24-7-5-22(6-8-24)14-25(30(37)38)33-29(36)28-20(3)11-19(2)12-21(28)4/h5-13,23,25H,14-17H2,1-4H3,(H,31,32)(H,33,36)(H,37,38)/t23?,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423717
(CHEMBL594166)Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C31H43N5O6/c1-19-11-20(2)28(21(3)12-19)29(39)35-24(30(40)41)16-34-26(37)18-42-23-13-22(15-33-25-9-7-8-10-32-25)36(17-23)27(38)14-31(4,5)6/h7-12,22-24H,13-18H2,1-6H3,(H,32,33)(H,34,37)(H,35,39)(H,40,41)/t22-,23+,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423721
(CHEMBL595105)Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423718
(CHEMBL606371)Show SMILES Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(OCCCNc3ccccn3)cc2)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C27H31N3O4/c1-18-15-19(2)25(20(3)16-18)26(31)30-23(27(32)33)17-21-8-10-22(11-9-21)34-14-6-13-29-24-7-4-5-12-28-24/h4-5,7-12,15-16,23H,6,13-14,17H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423724
(CHEMBL596248)Show SMILES Cc1ccnc(NCc2cc(on2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O4/c1-17-9-10-30-26(13-17)31-16-23-15-25(37-33-23)22-7-5-21(6-8-22)14-24(29(35)36)32-28(34)27-19(3)11-18(2)12-20(27)4/h5-13,15,24H,14,16H2,1-4H3,(H,30,31)(H,32,34)(H,35,36)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423727
(CHEMBL593226)Show SMILES Cc1ccnc(NCc2cnc(s2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O3S/c1-17-9-10-30-25(13-17)31-15-23-16-32-28(37-23)22-7-5-21(6-8-22)14-24(29(35)36)33-27(34)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,30,31)(H,33,34)(H,35,36)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423720
(CHEMBL606866)Show SMILES Cc1ccnc(NCc2ccc(cc2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-13-14-33-29(17-20)34-19-25-7-11-27(12-8-25)26-9-5-24(6-10-26)18-28(32(37)38)35-31(36)30-22(3)15-21(2)16-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >20 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423723
(CHEMBL593702)Show SMILES Cc1ccnc(NCc2csc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423720
(CHEMBL606866)Show SMILES Cc1ccnc(NCc2ccc(cc2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-13-14-33-29(17-20)34-19-25-7-11-27(12-8-25)26-9-5-24(6-10-26)18-28(32(37)38)35-31(36)30-22(3)15-21(2)16-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423725
(CHEMBL596246)Show SMILES Cc1ccnc(NCc2coc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O4/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423721
(CHEMBL595105)Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423719
(CHEMBL596247)Show SMILES Cc1ccnc(NCc2cccc(c2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-12-13-33-29(16-20)34-19-25-6-5-7-27(17-25)26-10-8-24(9-11-26)18-28(32(37)38)35-31(36)30-22(3)14-21(2)15-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423726
(CHEMBL594161)Show SMILES Cc1ccnc(NCc2cn(nn2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C28H30N6O3/c1-17-9-10-29-25(13-17)30-15-22-16-34(33-32-22)23-7-5-21(6-8-23)14-24(28(36)37)31-27(35)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,29,30)(H,31,35)(H,36,37)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423724
(CHEMBL596248)Show SMILES Cc1ccnc(NCc2cc(on2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O4/c1-17-9-10-30-26(13-17)31-16-23-15-25(37-33-23)22-7-5-21(6-8-22)14-24(29(35)36)32-28(34)27-19(3)11-18(2)12-20(27)4/h5-13,15,24H,14,16H2,1-4H3,(H,30,31)(H,32,34)(H,35,36)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423724
(CHEMBL596248)Show SMILES Cc1ccnc(NCc2cc(on2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O4/c1-17-9-10-30-26(13-17)31-16-23-15-25(37-33-23)22-7-5-21(6-8-22)14-24(29(35)36)32-28(34)27-19(3)11-18(2)12-20(27)4/h5-13,15,24H,14,16H2,1-4H3,(H,30,31)(H,32,34)(H,35,36)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423728
(CHEMBL593938)Show SMILES Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H34N4O4/c1-18-9-10-31-26(13-18)32-16-23-15-27(35)34(17-23)24-7-5-22(6-8-24)14-25(30(37)38)33-29(36)28-20(3)11-19(2)12-21(28)4/h5-13,23,25H,14-17H2,1-4H3,(H,31,32)(H,33,36)(H,37,38)/t23?,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423726
(CHEMBL594161)Show SMILES Cc1ccnc(NCc2cn(nn2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C28H30N6O3/c1-17-9-10-29-25(13-17)30-15-22-16-34(33-32-22)23-7-5-21(6-8-23)14-24(28(36)37)31-27(35)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,29,30)(H,31,35)(H,36,37)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423727
(CHEMBL593226)Show SMILES Cc1ccnc(NCc2cnc(s2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O3S/c1-17-9-10-30-25(13-17)31-15-23-16-32-28(37-23)22-7-5-21(6-8-22)14-24(29(35)36)33-27(34)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,30,31)(H,33,34)(H,35,36)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 472 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423727
(CHEMBL593226)Show SMILES Cc1ccnc(NCc2cnc(s2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O3S/c1-17-9-10-30-25(13-17)31-15-23-16-32-28(37-23)22-7-5-21(6-8-22)14-24(29(35)36)33-27(34)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,30,31)(H,33,34)(H,35,36)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 502 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423718
(CHEMBL606371)Show SMILES Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(OCCCNc3ccccn3)cc2)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C27H31N3O4/c1-18-15-19(2)25(20(3)16-18)26(31)30-23(27(32)33)17-21-8-10-22(11-9-21)34-14-6-13-29-24-7-4-5-12-28-24/h4-5,7-12,15-16,23H,6,13-14,17H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 703 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50423722
(CHEMBL593703)Show SMILES Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-11-31-27(15-18)32-17-26-24(10-12-37-26)23-7-5-22(6-8-23)16-25(30(35)36)33-29(34)28-20(3)13-19(2)14-21(28)4/h5-15,25H,16-17H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 887 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta1 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423719
(CHEMBL596247)Show SMILES Cc1ccnc(NCc2cccc(c2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-12-13-33-29(16-20)34-19-25-6-5-7-27(17-25)26-10-8-24(9-11-26)18-28(32(37)38)35-31(36)30-22(3)14-21(2)15-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423721
(CHEMBL595105)Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423728
(CHEMBL593938)Show SMILES Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H34N4O4/c1-18-9-10-31-26(13-18)32-16-23-15-27(35)34(17-23)24-7-5-22(6-8-24)14-25(30(37)38)33-29(36)28-20(3)11-19(2)12-21(28)4/h5-13,23,25H,14-17H2,1-4H3,(H,31,32)(H,33,36)(H,37,38)/t23?,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423722
(CHEMBL593703)Show SMILES Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-11-31-27(15-18)32-17-26-24(10-12-37-26)23-7-5-22(6-8-23)16-25(30(35)36)33-29(34)28-20(3)13-19(2)14-21(28)4/h5-15,25H,16-17H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423722
(CHEMBL593703)Show SMILES Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-11-31-27(15-18)32-17-26-24(10-12-37-26)23-7-5-22(6-8-23)16-25(30(35)36)33-29(34)28-20(3)13-19(2)14-21(28)4/h5-15,25H,16-17H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423723
(CHEMBL593702)Show SMILES Cc1ccnc(NCc2csc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423719
(CHEMBL596247)Show SMILES Cc1ccnc(NCc2cccc(c2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-12-13-33-29(16-20)34-19-25-6-5-7-27(17-25)26-10-8-24(9-11-26)18-28(32(37)38)35-31(36)30-22(3)14-21(2)15-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423728
(CHEMBL593938)Show SMILES Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H34N4O4/c1-18-9-10-31-26(13-18)32-16-23-15-27(35)34(17-23)24-7-5-22(6-8-24)14-25(30(37)38)33-29(36)28-20(3)11-19(2)12-21(28)4/h5-13,23,25H,14-17H2,1-4H3,(H,31,32)(H,33,36)(H,37,38)/t23?,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423721
(CHEMBL595105)Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423725
(CHEMBL596246)Show SMILES Cc1ccnc(NCc2coc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O4/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423725
(CHEMBL596246)Show SMILES Cc1ccnc(NCc2coc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O4/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423720
(CHEMBL606866)Show SMILES Cc1ccnc(NCc2ccc(cc2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-13-14-33-29(17-20)34-19-25-7-11-27(12-8-25)26-9-5-24(6-10-26)18-28(32(37)38)35-31(36)30-22(3)15-21(2)16-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423723
(CHEMBL593702)Show SMILES Cc1ccnc(NCc2csc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423725
(CHEMBL596246)Show SMILES Cc1ccnc(NCc2coc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O4/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423722
(CHEMBL593703)Show SMILES Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-11-31-27(15-18)32-17-26-24(10-12-37-26)23-7-5-22(6-8-23)16-25(30(35)36)33-29(34)28-20(3)13-19(2)14-21(28)4/h5-15,25H,16-17H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423726
(CHEMBL594161)Show SMILES Cc1ccnc(NCc2cn(nn2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C28H30N6O3/c1-17-9-10-29-25(13-17)30-15-22-16-34(33-32-22)23-7-5-21(6-8-23)14-24(28(36)37)31-27(35)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,29,30)(H,31,35)(H,36,37)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423723
(CHEMBL593702)Show SMILES Cc1ccnc(NCc2csc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C30H31N3O3S/c1-18-9-10-31-27(13-18)32-16-23-15-26(37-17-23)24-7-5-22(6-8-24)14-25(30(35)36)33-29(34)28-20(3)11-19(2)12-21(28)4/h5-13,15,17,25H,14,16H2,1-4H3,(H,31,32)(H,33,34)(H,35,36)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423724
(CHEMBL596248)Show SMILES Cc1ccnc(NCc2cc(on2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O4/c1-17-9-10-30-26(13-17)31-16-23-15-25(37-33-23)22-7-5-21(6-8-22)14-24(29(35)36)32-28(34)27-19(3)11-18(2)12-20(27)4/h5-13,15,24H,14,16H2,1-4H3,(H,30,31)(H,32,34)(H,35,36)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423727
(CHEMBL593226)Show SMILES Cc1ccnc(NCc2cnc(s2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r| Show InChI InChI=1S/C29H30N4O3S/c1-17-9-10-30-25(13-17)31-15-23-16-32-28(37-23)22-7-5-21(6-8-22)14-24(29(35)36)33-27(34)26-19(3)11-18(2)12-20(26)4/h5-13,16,24H,14-15H2,1-4H3,(H,30,31)(H,33,34)(H,35,36)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50423717
(CHEMBL594166)Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C31H43N5O6/c1-19-11-20(2)28(21(3)12-19)29(39)35-24(30(40)41)16-34-26(37)18-42-23-13-22(15-33-25-9-7-8-10-32-25)36(17-23)27(38)14-31(4,5)6/h7-12,22-24H,13-18H2,1-6H3,(H,32,33)(H,34,37)(H,35,39)(H,40,41)/t22-,23+,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423720
(CHEMBL606866)Show SMILES Cc1ccnc(NCc2ccc(cc2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-13-14-33-29(17-20)34-19-25-7-11-27(12-8-25)26-9-5-24(6-10-26)18-28(32(37)38)35-31(36)30-22(3)15-21(2)16-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423719
(CHEMBL596247)Show SMILES Cc1ccnc(NCc2cccc(c2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 Show InChI InChI=1S/C32H33N3O3/c1-20-12-13-33-29(16-20)34-19-25-6-5-7-27(17-25)26-10-8-24(9-11-26)18-28(32(37)38)35-31(36)30-22(3)14-21(2)15-23(30)4/h5-17,28H,18-19H2,1-4H3,(H,33,34)(H,35,36)(H,37,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50423717
(CHEMBL594166)Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C31H43N5O6/c1-19-11-20(2)28(21(3)12-19)29(39)35-24(30(40)41)16-34-26(37)18-42-23-13-22(15-33-25-9-7-8-10-32-25)36(17-23)27(38)14-31(4,5)6/h7-12,22-24H,13-18H2,1-6H3,(H,32,33)(H,34,37)(H,35,39)(H,40,41)/t22-,23+,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha2bbeta3 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50423717
(CHEMBL594166)Show SMILES Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C31H43N5O6/c1-19-11-20(2)28(21(3)12-19)29(39)35-24(30(40)41)16-34-26(37)18-42-23-13-22(15-33-25-9-7-8-10-32-25)36(17-23)27(38)14-31(4,5)6/h7-12,22-24H,13-18H2,1-6H3,(H,32,33)(H,34,37)(H,35,39)(H,40,41)/t22-,23+,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jerini AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alpha5beta5 receptor by ELISA |
Bioorg Med Chem Lett 20: 380-2 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.073
BindingDB Entry DOI: 10.7270/Q2M61MKQ |
More data for this
Ligand-Target Pair | |
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