Found 341 hits with Last Name = 'xia' and Initial = 't' 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
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| CHEMBL
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PC sid
UniChem
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| 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
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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 |
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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| 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
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| 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
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| 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
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| 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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| 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
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| 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
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| 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
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| 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
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| 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 | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50102025
(4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAP...)Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:20| Show InChI InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1 | PDB
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| MMDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli ass... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128354
BindingDB Entry DOI: 10.7270/Q2CR5Z6S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
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| 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 | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50379838
(CHEMBL2011750)Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1 Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28) | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human kallikrein 1 |
Bioorg Med Chem Lett 22: 2450-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.014
BindingDB Entry DOI: 10.7270/Q21G0N9N |
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
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| 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
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| 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 | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50580856
(CHEMBL5074481)Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CC(O)=O)cc1 |r,t:20| | PDB
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| PC cid
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli ass... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128354
BindingDB Entry DOI: 10.7270/Q2CR5Z6S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364455
(CHEMBL1950682)Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H19N5O3/c1-24-16-18(25(2)21(29)26(3)20(16)28)23-17(24)13-9-11-15(12-10-13)22-19(27)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,22,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364455
(CHEMBL1950682)Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H19N5O3/c1-24-16-18(25(2)21(29)26(3)20(16)28)23-17(24)13-9-11-15(12-10-13)22-19(27)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,22,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50379837
(CHEMBL2011749)Show SMILES NC(=N)c1cc(Br)c(OCCCCCOc2c(Br)cc(cc2Br)C(N)=N)c(Br)c1 Show InChI InChI=1S/C19H20Br4N4O2/c20-12-6-10(18(24)25)7-13(21)16(12)28-4-2-1-3-5-29-17-14(22)8-11(19(26)27)9-15(17)23/h6-9H,1-5H2,(H3,24,25)(H3,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human kallikrein 1 |
Bioorg Med Chem Lett 22: 2450-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.014
BindingDB Entry DOI: 10.7270/Q21G0N9N |
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
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)) | 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 | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364457
(CHEMBL1950684)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C Show InChI InChI=1S/C22H21N5O4/c1-25-17-19(26(2)22(30)27(3)21(17)29)24-18(25)13-5-9-15(10-6-13)23-20(28)14-7-11-16(31-4)12-8-14/h5-12H,1-4H3,(H,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364456
(CHEMBL1950683)Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C Show InChI InChI=1S/C22H21N5O3/c1-13-5-7-15(8-6-13)20(28)23-16-11-9-14(10-12-16)18-24-19-17(25(18)2)21(29)27(4)22(30)26(19)3/h5-12H,1-4H3,(H,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
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
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364453
(CHEMBL1950680)Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H19N5O3/c1-12-4-6-14(7-5-12)19(27)22-15-10-8-13(9-11-15)17-23-16-18(24-17)25(2)21(29)26(3)20(16)28/h4-11H,1-3H3,(H,22,27)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364453
(CHEMBL1950680)Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H19N5O3/c1-12-4-6-14(7-5-12)19(27)22-15-10-8-13(9-11-15)17-23-16-18(24-17)25(2)21(29)26(3)20(16)28/h4-11H,1-3H3,(H,22,27)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364459
(CHEMBL1950686)Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H19N5O3/c1-12-7-9-13(10-8-12)19(27)22-15-6-4-5-14(11-15)17-23-16-18(24-17)25(2)21(29)26(3)20(16)28/h4-11H,1-3H3,(H,22,27)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364461
(CHEMBL1950688)Show SMILES Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)-c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H19N5O3/c1-24-16-18(25(2)21(29)26(3)20(16)28)23-17(24)14-10-7-11-15(12-14)22-19(27)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,22,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364460
(CHEMBL1950687)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H19N5O4/c1-25-18-16(20(28)26(2)21(25)29)23-17(24-18)13-5-4-6-14(11-13)22-19(27)12-7-9-15(30-3)10-8-12/h4-11H,1-3H3,(H,22,27)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364460
(CHEMBL1950687)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H19N5O4/c1-25-18-16(20(28)26(2)21(25)29)23-17(24-18)13-5-4-6-14(11-13)22-19(27)12-7-9-15(30-3)10-8-12/h4-11H,1-3H3,(H,22,27)(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364462
(CHEMBL1950689)Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C Show InChI InChI=1S/C22H21N5O3/c1-13-8-10-14(11-9-13)20(28)23-16-7-5-6-15(12-16)18-24-19-17(25(18)2)21(29)27(4)22(30)26(19)3/h5-12H,1-4H3,(H,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364463
(CHEMBL1950690)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C Show InChI InChI=1S/C22H21N5O4/c1-25-17-19(26(2)22(30)27(3)21(17)29)24-18(25)14-6-5-7-15(12-14)23-20(28)13-8-10-16(31-4)11-9-13/h5-12H,1-4H3,(H,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364463
(CHEMBL1950690)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1C Show InChI InChI=1S/C22H21N5O4/c1-25-17-19(26(2)22(30)27(3)21(17)29)24-18(25)14-6-5-7-15(12-14)23-20(28)13-8-10-16(31-4)11-9-13/h5-12H,1-4H3,(H,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364454
(CHEMBL1950681)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H19N5O4/c1-25-18-16(20(28)26(2)21(25)29)23-17(24-18)12-4-8-14(9-5-12)22-19(27)13-6-10-15(30-3)11-7-13/h4-11H,1-3H3,(H,22,27)(H,23,24) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 3.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364458
(CHEMBL1950685)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H17N5O3/c1-24-17-15(19(27)25(2)20(24)28)22-16(23-17)13-9-6-10-14(11-13)21-18(26)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,26)(H,22,23) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50364458
(CHEMBL1950685)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H17N5O3/c1-24-17-15(19(27)25(2)20(24)28)22-16(23-17)13-9-6-10-14(11-13)21-18(26)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,26)(H,22,23) | PDB
MMDB
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wenzhou Medical College
Curated by ChEMBL
| Assay Description
Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgy... |
Bioorg Med Chem Lett 22: 1739-42 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.094
BindingDB Entry DOI: 10.7270/Q2V69K1B |
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
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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)) | 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
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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
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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
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)) | 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
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| 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)) | 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
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| 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 | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50065454
(CHEBI:63453 | CHEMBL3348846)Show SMILES COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1 Show InChI InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+ | PDB
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Health Science Center Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 (unknown origin) after 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 25: 1556-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.010
BindingDB Entry DOI: 10.7270/Q2NP262J |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50139763
(CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...)Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24| Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GST-fused Grb2-SH2 domain (unknown origin) by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128354
BindingDB Entry DOI: 10.7270/Q2CR5Z6S |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 2
(Homo sapiens (Human)) | BDBM50065454
(CHEBI:63453 | CHEMBL3348846)Show SMILES COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1 Show InChI InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+ | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Health Science Center Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of FGFR2 (unknown origin) after 90 mins by TR-FRET assay |
Bioorg Med Chem Lett 25: 1556-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.010
BindingDB Entry DOI: 10.7270/Q2NP262J |
More data for this
Ligand-Target Pair | |
Growth factor receptor-bound protein 2
(Homo sapiens (Human)) | BDBM50580855
(CHEMBL1205233)Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C(O)=O)C(O)=O |t:24| | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128354
BindingDB Entry DOI: 10.7270/Q2CR5Z6S |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388686
(CHEMBL74656)Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1 | PDB
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MCE
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of hERG expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00179
BindingDB Entry DOI: 10.7270/Q2BG2SV1 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM50065449
(CHEMBL3401358)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(N3CCN(CC(=O)Nc4nccs4)CC3)c(Cl)cnc2[nH]1 Show InChI InChI=1S/C26H30ClN9OS/c1-33-7-11-35(12-8-33)19-4-2-18(3-5-19)24-31-22-23(20(27)16-29-25(22)32-24)36-13-9-34(10-14-36)17-21(37)30-26-28-6-15-38-26/h2-6,15-16H,7-14,17H2,1H3,(H,28,30,37)(H,29,31,32) | PDB
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| CHEMBL
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Health Science Center Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of FGFR4 (unknown origin) |
Bioorg Med Chem Lett 25: 1556-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.010
BindingDB Entry DOI: 10.7270/Q2NP262J |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50065449
(CHEMBL3401358)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2c(N3CCN(CC(=O)Nc4nccs4)CC3)c(Cl)cnc2[nH]1 Show InChI InChI=1S/C26H30ClN9OS/c1-33-7-11-35(12-8-33)19-4-2-18(3-5-19)24-31-22-23(20(27)16-29-25(22)32-24)36-13-9-34(10-14-36)17-21(37)30-26-28-6-15-38-26/h2-6,15-16H,7-14,17H2,1H3,(H,28,30,37)(H,29,31,32) | PDB
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| 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 |
Health Science Center Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 (unknown origin) |
Bioorg Med Chem Lett 25: 1556-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.010
BindingDB Entry DOI: 10.7270/Q2NP262J |
More data for this
Ligand-Target Pair | |
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