Found 88 hits Enz. Inhib. hit(s) with all data for entry = 50039345 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 |
|---|
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IRAK4 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
Reactome pathway
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MCE
PC cid
PC sid
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UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335179
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335189
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[(3,3,4,4-tetraf...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC(F)(F)C(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H16F4N8S/c1-10-6-30-13(11-3-24-25-4-11)5-23-16(30)15(26-10)27-14-2-12(28-31-14)7-29-8-17(19,20)18(21,22)9-29/h2-6H,7-9H2,1H3,(H,24,25)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335193
(6-Methyl-N-[3-[[(2,2,3,3,3-pentafluoropropyl)amino...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CNCC(F)(F)C(F)(F)F)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C17H15F5N8S/c1-9-7-30-12(10-3-25-26-4-10)6-24-15(30)14(27-9)28-13-2-11(29-31-13)5-23-8-16(18,19)17(20,21)22/h2-4,6-7,23H,5,8H2,1H3,(H,25,26)(H,27,28) | PDB
Reactome pathway
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335192
(6-Methyl-3-(1H-pyrazol-4-yl)-N-[3-[[(3,3,3-trifluo...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CNCCC(F)(F)F)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C17H17F3N8S/c1-10-9-28-13(11-5-23-24-6-11)8-22-16(28)15(25-10)26-14-4-12(27-29-14)7-21-3-2-17(18,19)20/h4-6,8-9,21H,2-3,7H2,1H3,(H,23,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335181
(CHEMBL1650538 | N-[3-[(4,4-Difluoro-1-piperidinyl)...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)CC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20F2N8S/c1-12-10-29-15(13-7-23-24-8-13)9-22-18(29)17(25-12)26-16-6-14(27-30-16)11-28-4-2-19(20,21)3-5-28/h6-10H,2-5,11H2,1H3,(H,23,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335191
(CHEMBL1650548 | N-[3-[(3,3-Difluoro-1-azetidinyl)m...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C17H16F2N8S/c1-10-6-27-13(11-3-21-22-4-11)5-20-16(27)15(23-10)24-14-2-12(25-28-14)7-26-8-17(18,19)9-26/h2-6H,7-9H2,1H3,(H,21,22)(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335183
(CHEMBL1650540 | N-[3-[(3,3-Difluoro-1-piperidinyl)...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H20F2N8S/c1-12-9-29-15(13-6-23-24-7-13)8-22-18(29)17(25-12)26-16-5-14(27-30-16)10-28-4-2-3-19(20,21)11-28/h5-9H,2-4,10-11H2,1H3,(H,23,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335187
(CHEMBL1650544 | N-[3-[(3(R)-Fluoro-1-pyrrolidinyl)...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC[C@@H](F)C3)ns2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C18H19FN8S/c1-11-8-27-15(12-5-21-22-6-12)7-20-18(27)17(23-11)24-16-4-14(25-28-16)10-26-3-2-13(19)9-26/h4-8,13H,2-3,9-10H2,1H3,(H,21,22)(H,23,24)/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335180
(CHEMBL1650537 | N-[3-[(4-Fluoro-1-piperidinyl)meth...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)CC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H21FN8S/c1-12-10-28-16(13-7-22-23-8-13)9-21-19(28)18(24-12)25-17-6-15(26-29-17)11-27-4-2-14(20)3-5-27/h6-10,14H,2-5,11H2,1H3,(H,22,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335185
(CHEMBL1650542 | N-(6-methyl-3-(1H-pyrazol-4-yl)imi...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H20N8S/c1-12-10-26-15(13-7-20-21-8-13)9-19-18(26)17(22-12)23-16-6-14(24-27-16)11-25-4-2-3-5-25/h6-10H,2-5,11H2,1H3,(H,20,21)(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335186
(CHEMBL1650543 | N-[3-[(3(S)-Fluoro-1-pyrrolidinyl)...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC[C@H](F)C3)ns2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C18H19FN8S/c1-11-8-27-15(12-5-21-22-6-12)7-20-18(27)17(23-11)24-16-4-14(25-28-16)10-26-3-2-13(19)9-26/h4-8,13H,2-3,9-10H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MST2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PKCA |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PKCA |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of RSK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IKK-beta |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Testis-specific serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TSSK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CAMK4 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MET |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PKCA |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CSNK1D |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | 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 | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of NEK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
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UniChem
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50335188
(CHEMBL1650545 | CHEMBL1650551 | N-[3-[(3,3-Difluor...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C18H18F2N8S/c1-11-8-28-14(12-5-22-23-6-12)7-21-17(28)16(24-11)25-15-4-13(26-29-15)9-27-3-2-18(19,20)10-27/h4-8H,2-3,9-10H2,1H3,(H,22,23)(H,24,25) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ROCK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CAMK4 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CSNK1D |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of EGFR |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ERK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IGF1R |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IKK-beta |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50329198
(2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1...)Show SMILES CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO Show InChI InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MET |
J Med Chem 54: 201-10 (2011)
Article DOI: 10.1021/jm1010995
BindingDB Entry DOI: 10.7270/Q2VM4D76 |
More data for this
Ligand-Target Pair | |
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