Found 590 hits with Last Name = 'mack' and Initial = 'j' 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 |
|---|
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50065262
(1-((3R,4S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydr...)Show SMILES OCC1OC([C@H](O)[C@@H]1O)N1C=CC(O)NC1=O |c:11| Show InChI InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4-8,12-15H,3H2,(H,10,16)/t4?,5?,6-,7-,8?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Compound was tested for its binding affinity against cytidine deaminase. |
J Med Chem 41: 2572-8 (1998)
Article DOI: 10.1021/jm980111x
BindingDB Entry DOI: 10.7270/Q2KW5F6T |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50367349
(CHEMBL604436)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1C=NC2C1N=CNCC2O |r,c:11,16| Show InChI InChI=1S/C11H18N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-11,16-19H,1-2H2,(H,12,13)/t5?,6-,7?,8-,9-,10?,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50391219
(CHEMBL2093931)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r| Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in mouse Kidney |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50367034
(CHEMBL610997)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CC=CCNC1=O |r,c:12| Show InChI InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of human liver |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50391219
(CHEMBL2093931)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r| Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in human liver |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50391219
(CHEMBL2093931)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r| Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in mouse Kidney |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329390
(4'-(5-(1-(4-tert-butylphenyl)-1-hydroxy-3-(pyrroli...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)(CCN1CCCC1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C38H42ClNO4/c1-37(2,3)31-12-14-32(15-13-31)38(43,21-24-40-22-4-5-23-40)33-16-19-35(39)30(26-33)20-25-44-34-17-10-28(11-18-34)27-6-8-29(9-7-27)36(41)42/h6-19,26,43H,4-5,20-25H2,1-3H3,(H,41,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50391219
(CHEMBL2093931)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r| Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of human liver |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81731
(HSP90 Inhibitor, 5)Show InChI InChI=1S/C10H6Cl3N3/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H,(H2,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 60 | -41.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50367034
(CHEMBL610997)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CC=CCNC1=O |r,c:12| Show InChI InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of mouse kidney |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50421666
(CHEMBL2311128 | US9040501, 876404)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in human liver |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50391219
(CHEMBL2093931)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r| Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329389
(4'-(5-(1-(4-tert-butylphenyl)-1-hydroxy-3-morpholi...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)(CCN1CCOCC1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C38H42ClNO5/c1-37(2,3)31-10-12-32(13-11-31)38(43,19-20-40-21-24-44-25-22-40)33-14-17-35(39)30(26-33)18-23-45-34-15-8-28(9-16-34)27-4-6-29(7-5-27)36(41)42/h4-17,26,43H,18-25H2,1-3H3,(H,41,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50421666
(CHEMBL2311128 | US9040501, 876404)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vivo for its ability to inhibit mouse kidney cytidine deaminase (CDA) |
J Med Chem 29: 2351-8 (1986)
BindingDB Entry DOI: 10.7270/Q2GH9GZW |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81730
(HSP90 Inhibitor, 4)Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 170 | -38.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329388
(4'-(5-(1-(4-bromophenyl)-1-hydroxy-3-morpholinopro...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(OCCc2cc(ccc2Cl)C(O)(CCN2CCOCC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C34H33BrClNO5/c35-30-10-7-28(8-11-30)34(40,16-17-37-18-21-41-22-19-37)29-9-14-32(36)27(23-29)15-20-42-31-12-5-25(6-13-31)24-1-3-26(4-2-24)33(38)39/h1-14,23,40H,15-22H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329386
(4'-(2-chloro-5-(1-(4-chlorophenyl)-1-hydroxy-3-mor...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(OCCc2cc(ccc2Cl)C(O)(CCN2CCOCC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C34H33Cl2NO5/c35-30-10-7-28(8-11-30)34(40,16-17-37-18-21-41-22-19-37)29-9-14-32(36)27(23-29)15-20-42-31-12-5-25(6-13-31)24-1-3-26(4-2-24)33(38)39/h1-14,23,40H,15-22H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50421666
(CHEMBL2311128 | US9040501, 876404)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in mouse Kidney |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50025464
(1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCCCNC1=O Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of mouse kidney |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50025464
(1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCCCNC1=O Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vivo for its ability to inhibit mouse kidney cytidine deaminase (CDA) |
J Med Chem 29: 2351-8 (1986)
BindingDB Entry DOI: 10.7270/Q2GH9GZW |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50366986
(CHEMBL607779)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCCCNC1=O |r| Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in mouse Kidney |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81729
(HSP90 Inhibitor, 1 | hsp90_125)Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
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| DrugBank
MMDB
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PC sid
PDB
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Patents
| MMDB
PDB
Article
PubMed
| 320 | -37.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50025464
(1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCCCNC1=O Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of human liver |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50421666
(CHEMBL2311128 | US9040501, 876404)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50367346
(CHEMBL605877)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1C=CC(CO)NC1=O |r,c:11| Show InChI InChI=1S/C10H16N2O6/c13-3-5-1-2-12(10(17)11-5)9-8(16)7(15)6(4-14)18-9/h1-2,5-9,13-16H,3-4H2,(H,11,17)/t5?,6-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50366986
(CHEMBL607779)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCCCNC1=O |r| Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in human liver |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329387
(4'-(2-chloro-5-(1-(4-chlorophenyl)-1-hydroxyethyl)...)Show SMILES CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C29H24Cl2O4/c1-29(34,23-8-11-25(30)12-9-23)24-10-15-27(31)22(18-24)16-17-35-26-13-6-20(7-14-26)19-2-4-21(5-3-19)28(32)33/h2-15,18,34H,16-17H2,1H3,(H,32,33) | PDB
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| CHEMBL
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| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50391219
(CHEMBL2093931)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r| Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in human liver |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Adenosine deaminase
(Mus musculus) | BDBM50226311
(CHEBI:46938 | Zebularine)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O |r| Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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AffyNet
| Purchase
MCE
PC cid
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Similars
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for adenosine deaminase (ADA) |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329385
(4'-(2-(4-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C33H35NO5/c1-34(2)22-6-21-33(37,28-7-4-3-5-8-28)29-15-19-31(20-16-29)39-24-23-38-30-17-13-26(14-18-30)25-9-11-27(12-10-25)32(35)36/h3-5,7-20,37H,6,21-24H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
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| 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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329380
(4'-(2-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO5/c1-34(2)21-7-20-33(37,28-8-4-3-5-9-28)29-10-6-11-31(24-29)39-23-22-38-30-18-16-26(17-19-30)25-12-14-27(15-13-25)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
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| CHEMBL
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PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81732
(HSP90 Inhibitor, 6)Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13| Show InChI InChI=1S/C17H19N5O4S/c1-11-8-14(22-17(18)21-11)10-20-27(24,25)15-4-2-13(3-5-15)19-9-12-6-7-26-16(12)23/h2-5,8-9,19-20H,6-7,10H2,1H3,(H2,18,21,22) | PDB
MMDB
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| PC cid
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| Article
PubMed
| 1.90E+3 | -32.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50226311
(CHEBI:46938 | Zebularine)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O |r| Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50065260
(1-((3R,4S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydr...)Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5?,6-,7-,8?/m1/s1 | PDB
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PC cid
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| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Apparent Ki (binding affinity) was calculated for the compound against cytidine deaminase. |
J Med Chem 41: 2572-8 (1998)
Article DOI: 10.1021/jm980111x
BindingDB Entry DOI: 10.7270/Q2KW5F6T |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50366985
(CHEMBL608656)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCNC(=O)C1 |r| Show InChI InChI=1S/C9H16N2O5/c12-4-5-7(14)8(15)9(16-5)11-2-1-10-6(13)3-11/h5,7-9,12,14-15H,1-4H2,(H,10,13)/t5-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
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DrugBank
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| CHEMBL
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| PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of human liver |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Hexokinase-2
(Homo sapiens (Human)) | BDBM50169013
(CHEMBL3805703)Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/m1/s1 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) assessed as formation of G6P by continuou... |
ACS Med Chem Lett 7: 217-22 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00214
BindingDB Entry DOI: 10.7270/Q2PR7XWW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329379
(4'-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)p...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO4/c1-34(2)22-7-21-33(37,29-9-4-3-5-10-29)30-11-6-8-25(24-30)20-23-38-31-18-16-27(17-19-31)26-12-14-28(15-13-26)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
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| CHEMBL
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| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50366985
(CHEMBL608656)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCNC(=O)C1 |r| Show InChI InChI=1S/C9H16N2O5/c12-4-5-7(14)8(15)9(16-5)11-2-1-10-6(13)3-11/h5,7-9,12,14-15H,1-4H2,(H,10,13)/t5-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against cytidine deaminase of mouse kidney |
J Med Chem 24: 662-6 (1981)
BindingDB Entry DOI: 10.7270/Q2JM2B6C |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50366985
(CHEMBL608656)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCNC(=O)C1 |r| Show InChI InChI=1S/C9H16N2O5/c12-4-5-7(14)8(15)9(16-5)11-2-1-10-6(13)3-11/h5,7-9,12,14-15H,1-4H2,(H,10,13)/t5-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in mouse Kidney |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50025459
(1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...)Show InChI InChI=1S/C9H16N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h5-8,12-14H,1-4H2,(H,10,15)/t5-,6-,7-,8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vivo for its ability to inhibit mouse kidney cytidine deaminase (CDA) |
J Med Chem 29: 2351-8 (1986)
BindingDB Entry DOI: 10.7270/Q2GH9GZW |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50367344
(CHEMBL1232227 | CHEMBL604639)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CCNC1=O |r,c:11| Show InChI InChI=1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1,3,5-8,12-14H,2,4H2,(H,10,15)/t5-,6-,7-,8?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50367345
(CHEMBL604220)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCC=NC1=O |r,c:13| Show InChI InChI=1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h2,5-8,12-14H,1,3-4H2/t5-,6-,7-,8?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase |
J Med Chem 29: 1374-80 (1986)
BindingDB Entry DOI: 10.7270/Q26T0N69 |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81733
(HSP90 Inhibitor, 7)Show InChI InChI=1S/C17H17N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-7,10-11H,8-9H2,1H3,(H2,18,20,21)/b7-6?,19-11+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+3 | -30.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description
HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x
BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329378
(4'-(2-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO4/c1-34(2)22-7-21-33(37,29-8-4-3-5-9-29)30-10-6-11-31(24-30)38-23-20-25-12-14-26(15-13-25)27-16-18-28(19-17-27)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329375
(3'-(2-(3-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCCc2cccc(c2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C33H35NO4/c1-34(2)21-8-20-33(37,29-11-4-3-5-12-29)30-13-7-14-31(24-30)38-22-19-25-9-6-10-28(23-25)26-15-17-27(18-16-26)32(35)36/h3-7,9-18,23-24,37H,8,19-22H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329377
(4'-((3-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1cccc(OCc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C32H33NO4/c1-33(2)21-7-20-32(36,28-8-4-3-5-9-28)29-10-6-11-30(22-29)37-23-24-12-14-25(15-13-24)26-16-18-27(19-17-26)31(34)35/h3-6,8-19,22,36H,7,20-21,23H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329381
(3'-((4-(4-(dimethylamino)-1-hydroxy-1-phenylbutyl)...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C32H33NO4/c1-33(2)21-7-20-32(36,28-10-4-3-5-11-28)29-16-18-30(19-17-29)37-23-24-8-6-9-27(22-24)25-12-14-26(15-13-25)31(34)35/h3-6,8-19,22,36H,7,20-21,23H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Mus musculus) | BDBM50025460
(1-(3,4,5-Trihydroxy-tetrahydro-pyran-2-yl)-[1,3]di...)Show SMILES O[C@@H]1CO[C@H]([C@H](O)[C@@H]1O)N1CCCCNC1=O Show InChI InChI=1S/C10H18N2O5/c13-6-5-17-9(8(15)7(6)14)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vivo for its ability to inhibit mouse kidney cytidine deaminase (CDA) |
J Med Chem 29: 2351-8 (1986)
BindingDB Entry DOI: 10.7270/Q2GH9GZW |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329382
(3'-(2-(4-(4-(dimethylamino)-1-hydroxy-1-phenylbuty...)Show SMILES CN(C)CCCC(O)(c1ccccc1)c1ccc(OCCc2cccc(c2)-c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C33H35NO4/c1-34(2)22-7-21-33(37,29-10-4-3-5-11-29)30-16-18-31(19-17-30)38-23-20-25-8-6-9-28(24-25)26-12-14-27(15-13-26)32(35)36/h3-6,8-19,24,37H,7,20-23H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033
BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this
Ligand-Target Pair | |
Cytidine deaminase
(Homo sapiens (Human)) | BDBM50366987
(CHEMBL608479)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCC(=O)CNC1=O |r| Show InChI InChI=1S/C10H16N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h6-9,13,15-16H,1-4H2,(H,11,17)/t6-,7-,8-,9?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Cytidine Deaminase Inhibition in human liver |
J Med Chem 23: 713-5 (1980)
Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN |
More data for this
Ligand-Target Pair | |
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