Found 10 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 |
|---|
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50232478
(CHEMBL403233)Show SMILES O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36| Show InChI InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK5/p35 |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219735
(12,13-dehydro-8-O-acetylmanzamine A | CHEMBL252520)Show SMILES CC(=O)Oc1cccc2c3ccnc(C4=C\C5=C\C\C=C/CCCCN6CCC4[C@]4(C[C@@H]7\C=C/CCCCN7[C@@H]54)C6)c3[nH]c12 |w:28.27,c:19,33,t:14,16| Show InChI InChI=1S/C38H44N4O2/c1-26(43)44-33-16-12-15-29-30-17-19-39-35(36(30)40-34(29)33)31-23-27-13-8-4-2-3-6-10-20-41-22-18-32(31)38(25-41)24-28-14-9-5-7-11-21-42(28)37(27)38/h2,4,9,12-17,19,23,28,32,37,40H,3,5-8,10-11,18,20-22,24-25H2,1H3/b4-2-,14-9-,27-13-/t28-,32?,37-,38-/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 | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219730
(12,13-dehydromanzamine A | CHEMBL268202)Show SMILES C1[C@@H]2\C=C/CCCCN2[C@H]2\C3=C/C\C=C/CCCCN4CCC(C(=C3)c3nccc5c6ccccc6[nH]c35)[C@@]12C4 |w:22.22,c:2,11,14,24| Show InChI InChI=1S/C36H42N4/c1-2-5-11-20-39-22-18-31-30(33-34-29(17-19-37-33)28-15-9-10-16-32(28)38-34)23-26(13-7-3-1)35-36(31,25-39)24-27-14-8-4-6-12-21-40(27)35/h1,3,8-10,13-17,19,23,27,31,35,38H,2,4-7,11-12,18,20-22,24-25H2/b3-1-,14-8-,26-13-/t27-,31?,35-,36-/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 | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219736
(8-O-(4-chlorobenzenesulfonyl)manzamine F | CHEMBL4...)Show SMILES O[C@@]12CC\C=C/CCCCN3CCC(C(=C1)c1nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c14)[C@]1(C[C@@H]4CCC(=O)CCCN4[C@@H]21)C3 |w:13.12,c:4,14| Show InChI InChI=1S/C42H47ClN4O5S/c43-28-12-16-31(17-13-28)53(50,51)52-36-11-7-10-32-33-18-21-44-38(39(33)45-37(32)36)34-26-42(49)20-5-3-1-2-4-6-22-46-24-19-35(34)41(27-46)25-29-14-15-30(48)9-8-23-47(29)40(41)42/h1,3,7,10-13,16-18,21,26,29,35,40,45,49H,2,4-6,8-9,14-15,19-20,22-25,27H2/b3-1-/t29-,35?,40+,41-,42-/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 | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219731
(8-O-(2-acetamido-4-methylthiazole-5-sulfonyl)manza...)Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC\C=C/CCCCN6CCC4[C@]4(C[C@@H]7CCC(=O)CCCN7[C@@H]54)C6)c3[nH]c12 |w:39.39,c:31,t:25| Show InChI InChI=1S/C42H50N6O6S2/c1-26-38(55-40(44-26)45-27(2)49)56(52,53)54-34-13-9-12-30-31-16-19-43-36(37(31)46-35(30)34)32-24-42(51)18-7-5-3-4-6-8-20-47-22-17-33(32)41(25-47)23-28-14-15-29(50)11-10-21-48(28)39(41)42/h3,5,9,12-13,16,19,24,28,33,39,46,51H,4,6-8,10-11,14-15,17-18,20-23,25H2,1-2H3,(H,44,45,49)/b5-3-/t28-,33?,39+,41-,42-/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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50232478
(CHEMBL403233)Show SMILES O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36| Show InChI InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219733
(9-N-ethyl-8-ethoxy-manzamine A | CHEMBL403562)Show SMILES CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC\C=C/CCCCN6CCC4[C@]4(C[C@@H]7\C=C/CCCCN7[C@@H]54)C6)c3n(CC)c12 |w:28.27,c:19,33,t:13| Show InChI InChI=1S/C40H52N4O2/c1-3-43-36-30(17-15-18-34(36)46-4-2)31-19-22-41-35(37(31)43)32-27-40(45)21-12-8-5-6-9-13-23-42-25-20-33(32)39(28-42)26-29-16-11-7-10-14-24-44(29)38(39)40/h5,8,11,15-19,22,27,29,33,38,45H,3-4,6-7,9-10,12-14,20-21,23-26,28H2,1-2H3/b8-5-,16-11-/t29-,33?,38+,39-,40-/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 | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219734
(6-hydroxymanzamine A | CHEMBL252672)Show SMILES Oc1ccc2[nH]c3c(nccc3c2c1)C1=C[C@@]2(O)CC\C=C/CCCCN3CCC1[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |w:29.31,c:23,37,t:17| Show InChI InChI=1S/C36H44N4O2/c41-26-12-13-31-28(21-26)27-14-17-37-32(33(27)38-31)29-23-36(42)16-8-4-1-2-5-9-18-39-20-15-30(29)35(24-39)22-25-11-7-3-6-10-19-40(25)34(35)36/h1,4,7,11-14,17,21,23,25,30,34,38,41-42H,2-3,5-6,8-10,15-16,18-20,22,24H2/b4-1-,11-7-/t25-,30?,34+,35-,36-/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 | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219729
(8-O-(4-bromobenzenesulfonyl)manzamine F | CHEMBL41...)Show SMILES O[C@@]12CC\C=C/CCCCN3CCC(C(=C1)c1nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c14)[C@]1(C[C@@H]4CCC(=O)CCCN4[C@@H]21)C3 |w:13.12,c:4,14| Show InChI InChI=1S/C42H47BrN4O5S/c43-28-12-16-31(17-13-28)53(50,51)52-36-11-7-10-32-33-18-21-44-38(39(33)45-37(32)36)34-26-42(49)20-5-3-1-2-4-6-22-46-24-19-35(34)41(27-46)25-29-14-15-30(48)9-8-23-47(29)40(41)42/h1,3,7,10-13,16-18,21,26,29,35,40,45,49H,2,4-6,8-9,14-15,19-20,22-25,27H2/b3-1-/t29-,35?,40+,41-,42-/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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50219732
(3-[2-(Azacycloundec-6-en-1-yl)-ethyl]-5H-pyrido[4,...)Show SMILES O[C@@]12CC\C=C/CCCCN3CCC(C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4CCC(=O)CCCN4[C@@H]21)C3 |w:13.12,c:4,14| Show InChI InChI=1S/C36H44N4O2/c41-26-10-9-20-40-25(13-14-26)22-35-24-39-19-8-4-2-1-3-7-17-36(42,34(35)40)23-29(30(35)16-21-39)32-33-28(15-18-37-32)27-11-5-6-12-31(27)38-33/h1,3,5-6,11-12,15,18,23,25,30,34,38,42H,2,4,7-10,13-14,16-17,19-22,24H2/b3-1-/t25-,30?,34+,35-,36-/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 | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSKbeta |
J Nat Prod 70: 1397-405 (2007)
Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K |
More data for this
Ligand-Target Pair | |
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