Found 27 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 1
(Homo sapiens (Human)) | BDBM50252977
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-diethylaminoet...)Show SMILES CCN(CC)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C22H23BrN4O2/c1-3-27(4-2)11-12-29-26-20-16-7-5-6-8-17(16)24-21(20)19-15-10-9-14(23)13-18(15)25-22(19)28/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,25,28)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252951
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2,3-dihydroxypro...)Show SMILES OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C19H16BrN3O4/c20-10-5-6-12-15(7-10)22-19(26)16(12)18-17(23-27-9-11(25)8-24)13-3-1-2-4-14(13)21-18/h1-7,11,21,24-25H,8-9H2,(H,22,26)/b18-16-,23-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50377970
(CHEMBL1203920)Show SMILES OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16?,17?,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252977
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-diethylaminoet...)Show SMILES CCN(CC)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C22H23BrN4O2/c1-3-27(4-2)11-12-29-26-20-16-7-5-6-8-17(16)24-21(20)19-15-10-9-14(23)13-18(15)25-22(19)28/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,25,28)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252976
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-dimethylaminoe...)Show SMILES CN(C)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)9-10-27-24-18-14-5-3-4-6-15(14)22-19(18)17-13-8-7-12(21)11-16(13)23-20(17)26/h3-8,11,22H,9-10H2,1-2H3,(H,23,26)/b19-17-,24-18+ | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252729
((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...)Show SMILES Cl.Cl.Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1 Show InChI InChI=1S/C24H26BrN5O3/c25-16-5-6-17-20(15-16)27-24(32)21(17)23-22(18-3-1-2-4-19(18)26-23)28-33-14-12-30-9-7-29(8-10-30)11-13-31/h1-6,15,26,31H,7-14H2,(H,27,32)/b23-21-,28-22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252727
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[N-methyl,N-(2...)Show SMILES CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO Show InChI InChI=1S/C22H23BrN4O4/c1-27(11-14(29)12-28)8-9-31-26-20-16-4-2-3-5-17(16)24-21(20)19-15-7-6-13(23)10-18(15)25-22(19)30/h2-7,10,14,24,28-29H,8-9,11-12H2,1H3,(H,25,30)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252728
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-piperazine-1-y...)Show SMILES Cl.Cl.OCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C22H22BrN5O2/c23-14-5-6-15-18(13-14)26-22(29)19(15)21-20(16-3-1-2-4-17(16)25-21)27-30-12-11-28-9-7-24-8-10-28/h1-6,13,24-25H,7-12H2,(H,26,29)/b21-19-,27-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252764
((2'Z-3'E)-6-Bromoindirubin-3'-{O-[2-(4-methyl-pipe...)Show SMILES Cl.Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C23H24BrN5O2/c1-28-8-10-29(11-9-28)12-13-31-27-21-17-4-2-3-5-18(17)25-22(21)20-16-7-6-15(24)14-19(16)26-23(20)30/h2-7,14,25H,8-13H2,1H3,(H,26,30)/b22-20-,27-21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7401
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252728
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-piperazine-1-y...)Show SMILES Cl.Cl.OCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C22H22BrN5O2/c23-14-5-6-15-18(13-14)26-22(29)19(15)21-20(16-3-1-2-4-17(16)25-21)27-30-12-11-28-9-7-24-8-10-28/h1-6,13,24-25H,7-12H2,(H,26,29)/b21-19-,27-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252764
((2'Z-3'E)-6-Bromoindirubin-3'-{O-[2-(4-methyl-pipe...)Show SMILES Cl.Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C23H24BrN5O2/c1-28-8-10-29(11-9-28)12-13-31-27-21-17-4-2-3-5-18(17)25-22(21)20-16-7-6-15(24)14-19(16)26-23(20)30/h2-7,14,25H,8-13H2,1H3,(H,26,30)/b22-20-,27-21+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252978
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-pyrrolidin-1-y...)Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1 Show InChI InChI=1S/C22H21BrN4O2/c23-14-7-8-15-18(13-14)25-22(28)19(15)21-20(16-5-1-2-6-17(16)24-21)26-29-12-11-27-9-3-4-10-27/h1-2,5-8,13,24H,3-4,9-12H2,(H,25,28)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252976
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-dimethylaminoe...)Show SMILES CN(C)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)9-10-27-24-18-14-5-3-4-6-15(14)22-19(18)17-13-8-7-12(21)11-16(13)23-20(17)26/h3-8,11,22H,9-10H2,1-2H3,(H,23,26)/b19-17-,24-18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252767
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-{4-[2-(2-hydro...)Show SMILES Cl.Cl.OCCOCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C26H30BrN5O4/c27-18-5-6-19-22(17-18)29-26(34)23(19)25-24(20-3-1-2-4-21(20)28-25)30-36-15-12-32-9-7-31(8-10-32)11-14-35-16-13-33/h1-6,17,28,33H,7-16H2,(H,29,34)/b25-23-,30-24+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252978
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-pyrrolidin-1-y...)Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1 Show InChI InChI=1S/C22H21BrN4O2/c23-14-7-8-15-18(13-14)25-22(28)19(15)21-20(16-5-1-2-6-17(16)24-21)26-29-12-11-27-9-3-4-10-27/h1-2,5-8,13,24H,3-4,9-12H2,(H,25,28)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252726
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-(N,N-(2-hydrox...)Show SMILES OCCN(CCO)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C22H23BrN4O4/c23-14-5-6-15-18(13-14)25-22(30)19(15)21-20(16-3-1-2-4-17(16)24-21)26-31-12-9-27(7-10-28)8-11-29/h1-6,13,24,28-29H,7-12H2,(H,25,30)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252729
((2''Z-3''E)-6-Bromoindirubin-3''-(O-{2-[4-(2-hydro...)Show SMILES Cl.Cl.Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1 Show InChI InChI=1S/C24H26BrN5O3/c25-16-5-6-17-20(15-16)27-24(32)21(17)23-22(18-3-1-2-4-19(18)26-23)28-33-14-12-30-9-7-29(8-10-30)11-13-31/h1-6,15,26,31H,7-14H2,(H,27,32)/b23-21-,28-22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252767
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-{4-[2-(2-hydro...)Show SMILES Cl.Cl.OCCOCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C26H30BrN5O4/c27-18-5-6-19-22(17-18)29-26(34)23(19)25-24(20-3-1-2-4-21(20)28-25)30-36-15-12-32-9-7-31(8-10-32)11-14-35-16-13-33/h1-6,17,28,33H,7-16H2,(H,29,34)/b25-23-,30-24+ | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252730
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[4-(2-methoxye...)Show SMILES Cl.Cl.COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252726
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-(N,N-(2-hydrox...)Show SMILES OCCN(CCO)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C22H23BrN4O4/c23-14-5-6-15-18(13-14)25-22(30)19(15)21-20(16-3-1-2-4-17(16)24-21)26-31-12-9-27(7-10-28)8-11-29/h1-6,13,24,28-29H,7-12H2,(H,25,30)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252979
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-morpholin-1-yl...)Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCOCC1 Show InChI InChI=1S/C22H21BrN4O3/c23-14-5-6-15-18(13-14)25-22(28)19(15)21-20(16-3-1-2-4-17(16)24-21)26-30-12-9-27-7-10-29-11-8-27/h1-6,13,24H,7-12H2,(H,25,28)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252979
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-morpholin-1-yl...)Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCOCC1 Show InChI InChI=1S/C22H21BrN4O3/c23-14-5-6-15-18(13-14)25-22(28)19(15)21-20(16-3-1-2-4-17(16)24-21)26-30-12-9-27-7-10-29-11-8-27/h1-6,13,24H,7-12H2,(H,25,28)/b21-19-,26-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252730
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[4-(2-methoxye...)Show SMILES Cl.Cl.COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1 Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252950
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-hydroxyethyl)-...)Show SMILES OCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C18H14BrN3O3/c19-10-5-6-11-14(9-10)21-18(24)15(11)17-16(22-25-8-7-23)12-3-1-2-4-13(12)20-17/h1-6,9,20,23H,7-8H2,(H,21,24)/b17-15-,22-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252975
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(N,N-diethylcarba...)Show SMILES CCN(CC)C(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C21H19BrN4O3/c1-3-26(4-2)21(28)29-25-18-14-7-5-6-8-15(14)23-19(18)17-13-10-9-12(22)11-16(13)24-20(17)27/h5-11,23H,3-4H2,1-2H3,(H,24,27)/b19-17-,25-18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50252949
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-bromoethyl)-ox...)Show SMILES BrCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12 Show InChI InChI=1S/C18H13Br2N3O2/c19-7-8-25-23-16-12-3-1-2-4-13(12)21-17(16)15-11-6-5-10(20)9-14(11)22-18(15)24/h1-6,9,21H,7-8H2,(H,22,24)/b17-15-,23-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
J Med Chem 51: 6421-31 (2008)
Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG |
More data for this
Ligand-Target Pair | |
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