Found 18 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 |
|---|
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50360580
(CHEMBL1933343)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3| Show InChI InChI=1S/C24H26N4O/c1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3+ | PDB
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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM17053
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50360581
(CHEMBL1933344)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3| Show InChI InChI=1S/C24H24N6O/c1-30-11-3-2-4-12-31-20-10-6-8-18(14-20)21-22-23(26-16-25-22)29-24(28-21)27-19-9-5-7-17(13-19)15-30/h2-3,5-10,13-14,16H,4,11-12,15H2,1H3,(H2,25,26,27,28,29)/b3-2+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50360583
(CHEMBL1933346)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H21N7O3/c1-30-15-7-6-12(8-16(15)31-2)18-19-20(24-11-23-19)28-21(27-18)26-14-5-3-4-13(9-14)25-17(29)10-22/h3-9,11H,10,22H2,1-2H3,(H,25,29)(H2,23,24,26,27,28) | 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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50360580
(CHEMBL1933343)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3| Show InChI InChI=1S/C24H26N4O/c1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3+ | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50360580
(CHEMBL1933343)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3| Show InChI InChI=1S/C24H26N4O/c1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3+ | PDB
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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50360583
(CHEMBL1933346)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H21N7O3/c1-30-15-7-6-12(8-16(15)31-2)18-19-20(24-11-23-19)28-21(27-18)26-14-5-3-4-13(9-14)25-17(29)10-22/h3-9,11H,10,22H2,1-2H3,(H,25,29)(H2,23,24,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50360583
(CHEMBL1933346)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H21N7O3/c1-30-15-7-6-12(8-16(15)31-2)18-19-20(24-11-23-19)28-21(27-18)26-14-5-3-4-13(9-14)25-17(29)10-22/h3-9,11H,10,22H2,1-2H3,(H,25,29)(H2,23,24,26,27,28) | PDB
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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50360581
(CHEMBL1933344)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3| Show InChI InChI=1S/C24H24N6O/c1-30-11-3-2-4-12-31-20-10-6-8-18(14-20)21-22-23(26-16-25-22)29-24(28-21)27-19-9-5-7-17(13-19)15-30/h2-3,5-10,13-14,16H,4,11-12,15H2,1H3,(H2,25,26,27,28,29)/b3-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50360581
(CHEMBL1933344)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3| Show InChI InChI=1S/C24H24N6O/c1-30-11-3-2-4-12-31-20-10-6-8-18(14-20)21-22-23(26-16-25-22)29-24(28-21)27-19-9-5-7-17(13-19)15-30/h2-3,5-10,13-14,16H,4,11-12,15H2,1H3,(H2,25,26,27,28,29)/b3-2+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50360582
(CHEMBL1933345)Show SMILES Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-17-22-14(10-4-6-13(24)7-5-10)15-16(23-17)20-9-19-15/h1-9,24H,(H2,19,20,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50360580
(CHEMBL1933343)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3| Show InChI InChI=1S/C24H26N4O/c1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3+ | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM17053
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50360582
(CHEMBL1933345)Show SMILES Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-17-22-14(10-4-6-13(24)7-5-10)15-16(23-17)20-9-19-15/h1-9,24H,(H2,19,20,21,22,23) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50360581
(CHEMBL1933344)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3| Show InChI InChI=1S/C24H24N6O/c1-30-11-3-2-4-12-31-20-10-6-8-18(14-20)21-22-23(26-16-25-22)29-24(28-21)27-19-9-5-7-17(13-19)15-30/h2-3,5-10,13-14,16H,4,11-12,15H2,1H3,(H2,25,26,27,28,29)/b3-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50360582
(CHEMBL1933345)Show SMILES Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-17-22-14(10-4-6-13(24)7-5-10)15-16(23-17)20-9-19-15/h1-9,24H,(H2,19,20,21,22,23) | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50360582
(CHEMBL1933345)Show SMILES Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12 Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-17-22-14(10-4-6-13(24)7-5-10)15-16(23-17)20-9-19-15/h1-9,24H,(H2,19,20,21,22,23) | PDB
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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50360583
(CHEMBL1933346)Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12 Show InChI InChI=1S/C21H21N7O3/c1-30-15-7-6-12(8-16(15)31-2)18-19-20(24-11-23-19)28-21(27-18)26-14-5-3-4-13(9-14)25-17(29)10-22/h3-9,11H,10,22H2,1-2H3,(H,25,29)(H2,23,24,26,27,28) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair | |
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