Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50044275 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 |
|---|
Mitotic checkpoint serine/threonine-protein kinase BUB1
(Homo sapiens (Human)) | BDBM50011209
(CHEMBL3260324)Show SMILES CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1 Show InChI InChI=1S/C25H24F2N6O2/c1-3-35-16-11-19(26)18(20(27)12-16)14-33-21-6-4-5-17(21)23(32-33)25-29-13-22(34-2)24(31-25)30-15-7-9-28-10-8-15/h7-13H,3-6,14H2,1-2H3,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description
Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay |
ACS Med Chem Lett 5: 280-1 (2014)
Article DOI: 10.1021/ml5000492
BindingDB Entry DOI: 10.7270/Q2XG9SN8 |
More data for this
Ligand-Target Pair | |
Mitotic checkpoint serine/threonine-protein kinase BUB1
(Homo sapiens (Human)) | BDBM50011201
(CHEMBL3260326)Show SMILES CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OCC3(CO)COC3)c(Nc3ccncc3)n2)c(F)c1 Show InChI InChI=1S/C29H30F2N6O4/c1-2-40-19-10-22(30)21(23(31)11-19)13-37-24-5-3-4-20(24)26(36-37)28-33-12-25(41-17-29(14-38)15-39-16-29)27(35-28)34-18-6-8-32-9-7-18/h6-12,38H,2-5,13-17H2,1H3,(H,32,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description
Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay |
ACS Med Chem Lett 5: 280-1 (2014)
Article DOI: 10.1021/ml5000492
BindingDB Entry DOI: 10.7270/Q2XG9SN8 |
More data for this
Ligand-Target Pair | |
Mitotic checkpoint serine/threonine-protein kinase BUB1
(Homo sapiens (Human)) | BDBM50011202
(CHEMBL3260325)Show SMILES CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OCCN(C)C)c(Nc3ccncc3)n2)c(F)c1 Show InChI InChI=1S/C28H31F2N7O2/c1-4-38-19-14-22(29)21(23(30)15-19)17-37-24-7-5-6-20(24)26(35-37)28-32-16-25(39-13-12-36(2)3)27(34-28)33-18-8-10-31-11-9-18/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,31,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description
Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay |
ACS Med Chem Lett 5: 280-1 (2014)
Article DOI: 10.1021/ml5000492
BindingDB Entry DOI: 10.7270/Q2XG9SN8 |
More data for this
Ligand-Target Pair | |
Mitotic checkpoint serine/threonine-protein kinase BUB1
(Homo sapiens (Human)) | BDBM50011188
(CHEMBL3260329)Show SMILES CS(=O)(=O)CCOc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2ccccc2F)c2CCCc12 Show InChI InChI=1S/C26H26FN7O4S/c1-39(36,37)12-11-38-22-14-30-26(32-25(22)31-20-9-10-29-13-18(20)24(28)35)23-17-6-4-8-21(17)34(33-23)15-16-5-2-3-7-19(16)27/h2-3,5,7,9-10,13-14H,4,6,8,11-12,15H2,1H3,(H2,28,35)(H,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description
Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay |
ACS Med Chem Lett 5: 280-1 (2014)
Article DOI: 10.1021/ml5000492
BindingDB Entry DOI: 10.7270/Q2XG9SN8 |
More data for this
Ligand-Target Pair | |
Mitotic checkpoint serine/threonine-protein kinase BUB1
(Homo sapiens (Human)) | BDBM50011200
(CHEMBL3260327)Show SMILES CCOC(=O)c1cnccc1Nc1nc(ncc1Oc1ccccc1C(=O)OCC)-c1nn(Cc2ccccc2F)c2CCCc12 Show InChI InChI=1S/C34H31FN6O5/c1-3-44-33(42)23-11-6-8-15-28(23)46-29-19-37-32(39-31(29)38-26-16-17-36-18-24(26)34(43)45-4-2)30-22-12-9-14-27(22)41(40-30)20-21-10-5-7-13-25(21)35/h5-8,10-11,13,15-19H,3-4,9,12,14,20H2,1-2H3,(H,36,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description
Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay |
ACS Med Chem Lett 5: 280-1 (2014)
Article DOI: 10.1021/ml5000492
BindingDB Entry DOI: 10.7270/Q2XG9SN8 |
More data for this
Ligand-Target Pair | |
Mitotic checkpoint serine/threonine-protein kinase BUB1
(Homo sapiens (Human)) | BDBM50011189
(CHEMBL3260328)Show SMILES NC(=O)c1cnccc1N(CCO)c1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2CCCc12 Show InChI InChI=1S/C27H28FN7O4/c28-20-6-2-1-4-17(20)16-35-22-7-3-5-18(22)24(33-35)26-31-15-23(39-13-12-37)27(32-26)34(10-11-36)21-8-9-30-14-19(21)25(29)38/h1-2,4,6,8-9,14-15,36-37H,3,5,7,10-13,16H2,(H2,29,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description
Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay |
ACS Med Chem Lett 5: 280-1 (2014)
Article DOI: 10.1021/ml5000492
BindingDB Entry DOI: 10.7270/Q2XG9SN8 |
More data for this
Ligand-Target Pair | |
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