Found 58 hits with Last Name = 'muzi' and Initial = 'l' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50237601
(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50235980
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183594
(CHEMBL203693 | c[RGDf-(S)-alpha-TfmV])Show SMILES [#6]-[#6](-[#6])[C@@]1([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]1=O)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26-/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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183587
(CHEMBL379911 | c[RGDf-(S,R)-alpha-Dfm-F])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)[#6](F)F Show InChI InChI=1S/C31H38F2N8O7/c32-28(33)31(16-19-10-5-2-6-11-19)29(48)40-20(12-7-13-36-30(34)35)25(45)37-17-23(42)38-22(15-24(43)44)26(46)39-21(27(47)41-31)14-18-8-3-1-4-9-18/h1-6,8-11,20-22,28H,7,12-17H2,(H,37,45)(H,38,42)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,34,35,36)/t20-,21+,22-,31?/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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183582
(CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF])Show SMILES [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/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 | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183593
(CHEMBL379056 | c[RGD-(S)-alpha-TfmfV])Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)[C@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)20-23(44)36-16(9-6-10-33-25(31)32)21(42)34-13-18(39)35-17(11-19(40)41)22(43)38-26(24(45)37-20,27(28,29)30)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H4,31,32,33)/t16-,17-,20-,26-/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 | 10.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183590
(CHEMBL380434 | c(RGDfF))Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183590
(CHEMBL380434 | c(RGDfF))Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C30H38N8O7/c31-30(32)33-13-7-12-20-26(42)34-17-24(39)35-23(16-25(40)41)29(45)38-22(15-19-10-5-2-6-11-19)28(44)37-21(27(43)36-20)14-18-8-3-1-4-9-18/h1-6,8-11,20-23H,7,12-17H2,(H,34,42)(H,35,39)(H,36,43)(H,37,44)(H,38,45)(H,40,41)(H4,31,32,33)/t20-,21-,22+,23-/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 | 15.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183582
(CHEMBL413574 | c[RGDf-(S)-N-Me-alpha-TfmF])Show SMILES [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50235980
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183585
(CHEMBL383747 | c(RGDfMeF))Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-1=O Show InChI InChI=1S/C31H40N8O7/c1-39-24(16-20-11-6-3-7-12-20)29(45)37-21(13-8-14-34-31(32)33)27(43)35-18-25(40)36-22(17-26(41)42)28(44)38-23(30(39)46)15-19-9-4-2-5-10-19/h2-7,9-12,21-24H,8,13-18H2,1H3,(H,35,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)(H4,32,33,34)/t21-,22-,23+,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183585
(CHEMBL383747 | c(RGDfMeF))Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-1=O Show InChI InChI=1S/C31H40N8O7/c1-39-24(16-20-11-6-3-7-12-20)29(45)37-21(13-8-14-34-31(32)33)27(43)35-18-25(40)36-22(17-26(41)42)28(44)38-23(30(39)46)15-19-9-4-2-5-10-19/h2-7,9-12,21-24H,8,13-18H2,1H3,(H,35,43)(H,36,40)(H,37,45)(H,38,44)(H,41,42)(H4,32,33,34)/t21-,22-,23+,24-/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 | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183592
(CHEMBL204309 | c[RGDf-(S)-alpha-TfmF])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183594
(CHEMBL203693 | c[RGDf-(S)-alpha-TfmV])Show SMILES [#6]-[#6](-[#6])[C@@]1([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]1=O)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183584
(CHEMBL203077 | c[RGDf-(R)-alpha-TfmV])Show SMILES [#6]-[#6](-[#6])[C@]1([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]1=O)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26+/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 | 42.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183591
(CHEMBL377066 | c[RGD-(R)-alpha-TfmfV])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-21(14-18-8-3-1-4-9-18)26(47)40-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)27(48)42-30/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21-,22-,30+/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 | 72.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183589
(CHEMBL381589 | c[RGDf-(R)-alpha-TfmF])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)26(47)40-21(27(48)42-30)14-18-8-3-1-4-9-18/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21+,22-,30+/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 | 93.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183586
(CHEMBL381590 | c[RGDf-(R)-N-Me-alpha-TfmF])Show SMILES [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31+/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 | 93.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50237601
(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183593
(CHEMBL379056 | c[RGD-(S)-alpha-TfmfV])Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)[C@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)20-23(44)36-16(9-6-10-33-25(31)32)21(42)34-13-18(39)35-17(11-19(40)41)22(43)38-26(24(45)37-20,27(28,29)30)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H4,31,32,33)/t16-,17-,20-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50354086
(FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 281 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183584
(CHEMBL203077 | c[RGDf-(R)-alpha-TfmV])Show SMILES [#6]-[#6](-[#6])[C@]1([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]1=O)C(F)(F)F Show InChI InChI=1S/C27H37F3N8O7/c1-14(2)26(27(28,29)30)24(45)37-16(9-6-10-33-25(31)32)21(42)34-13-19(39)35-18(12-20(40)41)22(43)36-17(23(44)38-26)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3,(H,34,42)(H,35,39)(H,36,43)(H,37,45)(H,38,44)(H,40,41)(H4,31,32,33)/t16-,17+,18-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183587
(CHEMBL379911 | c[RGDf-(S,R)-alpha-Dfm-F])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)[#6](F)F Show InChI InChI=1S/C31H38F2N8O7/c32-28(33)31(16-19-10-5-2-6-11-19)29(48)40-20(12-7-13-36-30(34)35)25(45)37-17-23(42)38-22(15-24(43)44)26(46)39-21(27(47)41-31)14-18-8-3-1-4-9-18/h1-6,8-11,20-22,28H,7,12-17H2,(H,37,45)(H,38,42)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,34,35,36)/t20-,21+,22-,31?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408492
(CHEMBL5269133)Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(COc3ccc(cc3)C(C)(C)C)cc12 Show InChI InChI=1S/C28H34N2OS/c1-28(2,3)22-12-14-23(15-13-22)31-20-21-11-16-27-25(19-21)30(18-8-17-29(4)5)24-9-6-7-10-26(24)32-27/h6-7,9-16,19H,8,17-18,20H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| | n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
|
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408498
(CHEMBL5270983)Show InChI InChI=1S/C18H21N3OS/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)23-18-9-8-14(13-19-22)12-16(18)21/h3-4,6-9,12H,5,10-11,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 518 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183586
(CHEMBL381590 | c[RGDf-(R)-N-Me-alpha-TfmF])Show SMILES [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@]1([#6]-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C32H39F3N8O7/c1-43-28(49)23(15-19-9-4-2-5-10-19)41-27(48)22(16-25(45)46)40-24(44)18-39-26(47)21(13-8-14-38-30(36)37)42-29(50)31(43,32(33,34)35)17-20-11-6-3-7-12-20/h2-7,9-12,21-23H,8,13-18H2,1H3,(H,39,47)(H,40,44)(H,41,48)(H,42,50)(H,45,46)(H4,36,37,38)/t21-,22-,23+,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 704 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408502
(CHEMBL5289168)Show SMILES Clc1ccc2Sc3ccccc3N(C(=O)CCC(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C23H19ClN2O2S/c24-17-10-11-21-19(14-17)26(18-8-4-5-9-20(18)29-21)23(28)13-12-22(27)25-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 729 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50129133
(CHEMBL3628320)Show SMILES CCCCCCCCSSCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1 |r| Show InChI InChI=1S/C30H52N4O6S2/c1-7-8-9-10-11-13-16-41-42-17-14-12-15-23-18-24(35)33-27(21(4)5)30(39)32-22(6)28(37)34-26(20(2)3)29(38)31-19-25(36)40-23/h12,15,20-23,26-27H,7-11,13-14,16-19H2,1-6H3,(H,31,38)(H,32,39)(H,33,35)(H,34,37)/b15-12+/t22-,23-,26-,27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408500
(CHEMBL5278611)Show InChI InChI=1S/C19H21ClN2OS/c1-13(23)14-5-7-18-16(11-14)22(10-4-9-21(2)3)17-12-15(20)6-8-19(17)24-18/h5-8,11-12H,4,9-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 972 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183588
(CHEMBL203930 | c[RG-(R)-alpha-TfmDfV])Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26+/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183588
(CHEMBL203930 | c[RG-(R)-alpha-TfmDfV])Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183583
(CHEMBL409143 | c[RG-(S)-alpha-TfmDfV])Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50183583
(CHEMBL409143 | c[RG-(S)-alpha-TfmDfV])Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N8O6/c1-15(2)20-23(43)36-17(9-6-10-34-25(31)32)21(41)33-11-12-35-26(14-19(39)40,27(28,29)30)24(44)37-18(22(42)38-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,20,35H,6,9-14H2,1-2H3,(H,33,41)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H4,31,32,34)/t17-,18+,20-,26-/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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50183591
(CHEMBL377066 | c[RGD-(R)-alpha-TfmfV])Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F Show InChI InChI=1S/C31H37F3N8O7/c32-31(33,34)30(16-19-10-5-2-6-11-19)28(49)41-21(14-18-8-3-1-4-9-18)26(47)40-20(12-7-13-37-29(35)36)25(46)38-17-23(43)39-22(15-24(44)45)27(48)42-30/h1-6,8-11,20-22H,7,12-17H2,(H,38,46)(H,39,43)(H,40,47)(H,41,49)(H,42,48)(H,44,45)(H4,35,36,37)/t20-,21-,22-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni
Curated by ChEMBL
| Assay Description Displacement of [125I]echistatin from AlphaVbeta3 integrin receptor |
J Med Chem 49: 1808-17 (2006)
Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50129135
(CHEMBL3628323)Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cn(C)cn2)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)Cn2cc1nn2)\C=C\CCSC(C)=O)C(C)C |r| Show InChI InChI=1S/C29H42N8O6S/c1-17(2)26-23-14-37(35-34-23)15-25(40)43-21(9-7-8-10-44-19(5)38)12-24(39)32-27(18(3)4)29(42)31-22(28(41)33-26)11-20-13-36(6)16-30-20/h7,9,13-14,16-18,21-22,26-27H,8,10-12,15H2,1-6H3,(H,31,42)(H,32,39)(H,33,41)/b9-7+/t21-,22-,26-,27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50129134
(CHEMBL3628322)Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)Cn2cc1nn2)\C=C\CCSC(C)=O)C(C)C |r| Show InChI InChI=1S/C31H42N6O6S/c1-19(2)28-25-17-37(36-35-25)18-27(40)43-23(13-9-10-14-44-21(5)38)16-26(39)33-29(20(3)4)31(42)32-24(30(41)34-28)15-22-11-7-6-8-12-22/h6-9,11-13,17,19-20,23-24,28-29H,10,14-16,18H2,1-5H3,(H,32,42)(H,33,39)(H,34,41)/b13-9+/t23-,24-,28-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50129132
(CHEMBL3628319)Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1 |r| Show InChI InChI=1S/C30H50N4O7S/c1-7-8-9-10-11-15-25(37)42-16-13-12-14-22-17-23(35)33-27(20(4)5)30(40)32-21(6)28(38)34-26(19(2)3)29(39)31-18-24(36)41-22/h12,14,19-22,26-27H,7-11,13,15-18H2,1-6H3,(H,31,39)(H,32,40)(H,33,35)(H,34,38)/b14-12+/t21-,22-,26-,27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408497
(CHEMBL5287933)Show InChI InChI=1S/C18H19ClN2OS/c1-3-20(4-2)12-18(22)21-14-7-5-6-8-16(14)23-17-10-9-13(19)11-15(17)21/h5-11H,3-4,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50129135
(CHEMBL3628323)Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cn(C)cn2)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)Cn2cc1nn2)\C=C\CCSC(C)=O)C(C)C |r| Show InChI InChI=1S/C29H42N8O6S/c1-17(2)26-23-14-37(35-34-23)15-25(40)43-21(9-7-8-10-44-19(5)38)12-24(39)32-27(18(3)4)29(42)31-22(28(41)33-26)11-20-13-36(6)16-30-20/h7,9,13-14,16-18,21-22,26-27H,8,10-12,15H2,1-6H3,(H,31,42)(H,32,39)(H,33,41)/b9-7+/t21-,22-,26-,27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50129134
(CHEMBL3628322)Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)Cn2cc1nn2)\C=C\CCSC(C)=O)C(C)C |r| Show InChI InChI=1S/C31H42N6O6S/c1-19(2)28-25-17-37(36-35-25)18-27(40)43-23(13-9-10-14-44-21(5)38)16-26(39)33-29(20(3)4)31(42)32-24(30(41)34-28)15-22-11-7-6-8-12-22/h6-9,11-13,17,19-20,23-24,28-29H,10,14-16,18H2,1-5H3,(H,32,42)(H,33,39)(H,34,41)/b13-9+/t23-,24-,28-,29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408496
(CHEMBL5291421)Show InChI InChI=1S/C19H21ClN2OS/c1-3-21(4-2)12-11-19(23)22-15-7-5-6-8-17(15)24-18-10-9-14(20)13-16(18)22/h5-10,13H,3-4,11-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408493
(CHEMBL5285672)Show InChI InChI=1S/C18H23N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11,13,19H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
|
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408495
(CHEMBL5267130)Show InChI InChI=1S/C16H13NO2S/c1-10(18)12-7-8-16-14(9-12)17(11(2)19)13-5-3-4-6-15(13)20-16/h3-9H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 2.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408499
(CHEMBL5276647)Show InChI InChI=1S/C18H20N2O2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)23-17-9-8-13(18(21)22)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at AT1 receptor in rat aorta |
Citation and Details
|
More data for this Ligand-Target Pair | |
Acid-sensing ion channel 1
(Homo sapiens (Human)) | BDBM50408494
(CHEMBL5267106)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)11-6-12-20-14-8-3-4-10-16(14)21-17-13(18)7-5-9-15(17)20/h3-5,7-10H,6,11-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi... |
Citation and Details
|
More data for this Ligand-Target Pair | |