Found 51 hits of Enzyme Inhibition Constant Data 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 |
|---|
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064157
(CHEMBL3401132)Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064156
(CHEMBL3401131)Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064154
(CHEMBL3401129)Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064152
(CHEMBL3401127)Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064143
(CHEMBL3401118)Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064153
(CHEMBL3401128)Show InChI InChI=1S/C17H21FN4O2/c1-11-17(2,3)24-8-7-22(11)16-20-14(9-15(23)21(16)4)12-5-6-19-10-13(12)18/h5-6,9-11H,7-8H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064142
(CHEMBL3401117)Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064141
(CHEMBL3401116)Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50443871
(CHEMBL3091536)Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064145
(CHEMBL3401120)Show SMILES CC(C)[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-24-7-6-22(15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064150
(CHEMBL3401125)Show SMILES C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064150
(CHEMBL3401125)Show SMILES C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064140
(CHEMBL3401115)Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-22(6-7-24-15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064151
(CHEMBL3401126)Show SMILES C[C@@H]1OCCN([C@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064144
(CHEMBL3401119)Show SMILES CC[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-3-11-10-23-7-6-21(11)16-19-14(8-15(22)20(16)2)12-4-5-18-9-13(12)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064146
(CHEMBL3401121)Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064147
(CHEMBL3401122)Show SMILES CC[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-3-11-10-23-7-6-21(11)16-19-14(8-15(22)20(16)2)12-4-5-18-9-13(12)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064155
(CHEMBL3401130)Show SMILES [H][C@]12CCC[C@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064149
(CHEMBL3401124)Show SMILES C[C@H]1CN([C@H](C)CO1)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-9-23-11(2)8-21(10)16-19-14(6-15(22)20(16)3)12-4-5-18-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3/t10-,11+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064139
(CHEMBL3401114)Show InChI InChI=1S/C14H15FN4O2/c1-18-13(20)8-12(10-2-3-16-9-11(10)15)17-14(18)19-4-6-21-7-5-19/h2-3,8-9H,4-7H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50064148
(CHEMBL3401123)Show SMILES C[C@@H]1CN([C@H](C)CO1)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-9-23-11(2)8-21(10)16-19-14(6-15(22)20(16)3)12-4-5-18-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph... |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064142
(CHEMBL3401117)Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064141
(CHEMBL3401116)Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064140
(CHEMBL3401115)Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-22(6-7-24-15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064146
(CHEMBL3401121)Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064141
(CHEMBL3401116)Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064156
(CHEMBL3401131)Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064152
(CHEMBL3401127)Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064143
(CHEMBL3401118)Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064154
(CHEMBL3401129)Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50443871
(CHEMBL3091536)Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064142
(CHEMBL3401117)Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50443871
(CHEMBL3091536)Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064141
(CHEMBL3401116)Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064143
(CHEMBL3401118)Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50064157
(CHEMBL3401132)Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP1A2 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064156
(CHEMBL3401131)Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064152
(CHEMBL3401127)Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50443871
(CHEMBL3091536)Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064142
(CHEMBL3401117)Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064146
(CHEMBL3401121)Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064154
(CHEMBL3401129)Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064146
(CHEMBL3401121)Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064140
(CHEMBL3401115)Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-22(6-7-24-15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064143
(CHEMBL3401118)Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50064157
(CHEMBL3401132)Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064140
(CHEMBL3401115)Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-22(6-7-24-15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064156
(CHEMBL3401131)Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064154
(CHEMBL3401129)Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064152
(CHEMBL3401127)Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50064157
(CHEMBL3401132)Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsubishi Tanabe Pharma Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 |
Bioorg Med Chem Lett 25: 1086-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R |
More data for this
Ligand-Target Pair | |
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