Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50021373 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)) | BDBM50223890
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)Show SMILES CC1(C)C2CC[C@@]1(C(=O)C2)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O |w:3.10,THB:8:7:5.4:1| Show InChI InChI=1S/C31H33N3O7S/c1-30(2)20-12-13-31(30,24(35)16-20)42(40,41)34-23(29(38)39)14-17-6-8-18(9-7-17)19-4-3-5-22(15-19)33-26-25(27(36)28(26)37)32-21-10-11-21/h3-9,15,20-21,23,32-34H,10-14,16H2,1-2H3,(H,38,39)/t20?,23-,31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223891
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223897
((S)-3-{3'-[(1H-imidazole-2-carbonyl)-amino]-biphen...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ncc[nH]2)c1)C(O)=O Show InChI InChI=1S/C28H28N4O5S/c1-17-13-18(2)25(19(3)14-17)38(36,37)32-24(28(34)35)15-20-7-9-21(10-8-20)22-5-4-6-23(16-22)31-27(33)26-29-11-12-30-26/h4-14,16,24,32H,15H2,1-3H3,(H,29,30)(H,31,33)(H,34,35)/t24-/m0/s1 | PDB
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antibodypedia
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223888
((S)-3-[3'-(4,5-dihydro-1H-imidazol-2-ylamino)-biph...)Show SMILES [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1cccc(c1)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1)-[#6](-[#8])=O Show InChI InChI=1S/C27H30N4O4S/c1-17-13-18(2)25(19(3)14-17)36(34,35)31-24(26(32)33)15-20-7-9-21(10-8-20)22-5-4-6-23(16-22)30-27-28-11-12-29-27/h4-10,13-14,16,24,31H,11-12,15H2,1-3H3,(H,32,33)(H2,28,29,30)/t24-/m0/s1 | PDB
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50125289
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223896
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C23H23N3O6S/c1-33(31,32)26-18(23(29)30)11-13-5-7-14(8-6-13)15-3-2-4-17(12-15)25-20-19(21(27)22(20)28)24-16-9-10-16/h2-8,12,16,18,24-26H,9-11H2,1H3,(H,29,30)/t18-/m0/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50125297
((S)-3-(3'-Guanidino-biphenyl-4-yl)-2-(2,4,6-trimet...)Show SMILES [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C25H28N4O4S/c1-15-11-16(2)23(17(3)12-15)34(32,33)29-22(24(30)31)13-18-7-9-19(10-8-18)20-5-4-6-21(14-20)28-25(26)27/h4-12,14,22,29H,13H2,1-3H3,(H,30,31)(H4,26,27,28)/t22-/m0/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223887
((S)-3-(3'-{3,4-dioxo-2-[(pyridin-2-ylmethyl)-amino...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NCc3ccccn3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C34H32N4O6S/c1-20-15-21(2)33(22(3)16-20)45(43,44)38-28(34(41)42)17-23-10-12-24(13-11-23)25-7-6-9-26(18-25)37-30-29(31(39)32(30)40)36-19-27-8-4-5-14-35-27/h4-16,18,28,36-38H,17,19H2,1-3H3,(H,41,42)/t28-/m0/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223886
((S)-3-[3'-(4-cyclopropylamino-1-oxo-1H-1lambda*4*-...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2ns(=O)nc2NC2CC2)c1)C(O)=O Show InChI InChI=1S/C29H31N5O5S2/c1-17-13-18(2)26(19(3)14-17)41(38,39)34-25(29(35)36)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)31-28-27(30-23-11-12-23)32-40(37)33-28/h4-10,13-14,16,23,25,34H,11-12,15H2,1-3H3,(H,30,32)(H,31,33)(H,35,36)/t25-,40?/m0/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223892
((S)-3-[3'-(2-benzylamino-3,4-dioxo-cyclobut-1-enyl...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C35H33N3O6S/c1-21-16-22(2)34(23(3)17-21)45(43,44)38-29(35(41)42)18-24-12-14-26(15-13-24)27-10-7-11-28(19-27)37-31-30(32(39)33(31)40)36-20-25-8-5-4-6-9-25/h4-17,19,29,36-38H,18,20H2,1-3H3,(H,41,42)/t29-/m0/s1 | PDB
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PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223893
((S)-3-{3'-[(1H-pyrrole-2-carbonyl)-amino]-biphenyl...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccc[nH]2)c1)C(O)=O Show InChI InChI=1S/C29H29N3O5S/c1-18-14-19(2)27(20(3)15-18)38(36,37)32-26(29(34)35)16-21-9-11-22(12-10-21)23-6-4-7-24(17-23)31-28(33)25-8-5-13-30-25/h4-15,17,26,30,32H,16H2,1-3H3,(H,31,33)(H,34,35)/t26-/m0/s1 | PDB
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antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50223891
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to GP2b3a receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50125289
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1 | PDB
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| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to GP2b3a receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223895
((S)-3-{3'-[(pyridine-3-carbonyl)-amino]-biphenyl-4...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2cccnc2)c1)C(O)=O Show InChI InChI=1S/C30H29N3O5S/c1-19-14-20(2)28(21(3)15-19)39(37,38)33-27(30(35)36)16-22-9-11-23(12-10-22)24-6-4-8-26(17-24)32-29(34)25-7-5-13-31-18-25/h4-15,17-18,27,33H,16H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1 | PDB
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223885
((S)-3-{3'-[(furan-2-carbonyl)-amino]-biphenyl-4-yl...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccco2)c1)C(O)=O Show InChI InChI=1S/C29H28N2O6S/c1-18-14-19(2)27(20(3)15-18)38(35,36)31-25(29(33)34)16-21-9-11-22(12-10-21)23-6-4-7-24(17-23)30-28(32)26-8-5-13-37-26/h4-15,17,25,31H,16H2,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223889
((S)-3-{3'-[(pyridine-4-carbonyl)-amino]-biphenyl-4...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccncc2)c1)C(O)=O Show InChI InChI=1S/C30H29N3O5S/c1-19-15-20(2)28(21(3)16-19)39(37,38)33-27(30(35)36)17-22-7-9-23(10-8-22)25-5-4-6-26(18-25)32-29(34)24-11-13-31-14-12-24/h4-16,18,27,33H,17H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1 | PDB
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Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50223894
((S)-3-{3'-[(pyridine-2-carbonyl)-amino]-biphenyl-4...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccccn2)c1)C(O)=O Show InChI InChI=1S/C30H29N3O5S/c1-19-15-20(2)28(21(3)16-19)39(37,38)33-27(30(35)36)17-22-10-12-23(13-11-22)24-7-6-8-25(18-24)32-29(34)26-9-4-5-14-31-26/h4-16,18,27,33H,17H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to integrin alphavbeta3 receptor |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50125289
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin by equilibrium dialysis |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50223891
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a |
Bayer Healthcare AG
Curated by ChEMBL
| Assay Description
Binding affinity to human serum albumin by equilibrium dialysis |
Bioorg Med Chem Lett 17: 6151-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S |
More data for this
Ligand-Target Pair | |
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