Found 94 hits with Last Name = 'saporito' and Initial = 'ms' 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 |
|---|
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type
(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...) | BDBM50108296
(CHEMBL289772 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13 Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20?,28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108295
(CHEMBL288817 | Indolocarbazole analogue)Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108296
(CHEMBL289772 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13 Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20?,28-,29-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108293
(CHEMBL277817 | Indolocarbazole analogue)Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108296
(CHEMBL289772 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13 Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20?,28-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50108295
(CHEMBL288817 | Indolocarbazole analogue)Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108295
(CHEMBL288817 | Indolocarbazole analogue)Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108293
(CHEMBL277817 | Indolocarbazole analogue)Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50108293
(CHEMBL277817 | Indolocarbazole analogue)Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108299
(CHEMBL288229 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24942
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r| Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24949
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1 Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31) | PDB
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PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50108299
(CHEMBL288229 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108299
(CHEMBL288229 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108297
(CHEMBL288816 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13 Show InChI InChI=1S/C35H37N3O5S2/c1-17(2)44-15-19-7-9-24-21(11-19)28-29-23(14-36-32(29)39)27-22-12-20(16-45-18(3)4)8-10-25(22)38-31(27)30(28)37(24)26-13-35(41,33(40)42-6)34(38,5)43-26/h7-12,17-18,26,41H,13-16H2,1-6H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24942
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r| Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24942
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r| Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108291
(CHEMBL36891 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-19-17(11-15)23-24-18(13-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-12-30(36,28(35)37-3)29(33,2)38-21/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108291
(CHEMBL36891 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-19-17(11-15)23-24-18(13-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-12-30(36,28(35)37-3)29(33,2)38-21/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108297
(CHEMBL288816 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13 Show InChI InChI=1S/C35H37N3O5S2/c1-17(2)44-15-19-7-9-24-21(11-19)28-29-23(14-36-32(29)39)27-22-12-20(16-45-18(3)4)8-10-25(22)38-31(27)30(28)37(24)26-13-35(41,33(40)42-6)34(38,5)43-26/h7-12,17-18,26,41H,13-16H2,1-6H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24952
(20-(cyclopentyloxy)-3-(2-hydroxyethyl)-3,13-diazah...)Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12 Show InChI InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33) | PDB
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Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM24942
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r| Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24947
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1 Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29) | PDB
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Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108292
(CHEMBL37529 | Indolocarbazole analogue)Show SMILES CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C35H37N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h7-10,13-14,26,41H,5-6,11-12,15-18H2,1-4H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50108299
(CHEMBL288229 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of NGF high affinity receptor tyrosine kinase TrkA |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24942
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r| Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24949
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1 Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24944
(20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{...)Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1 Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28) | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24948
(3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo...)Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1 Show InChI InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30) | PDB
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Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50108297
(CHEMBL288816 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13 Show InChI InChI=1S/C35H37N3O5S2/c1-17(2)44-15-19-7-9-24-21(11-19)28-29-23(14-36-32(29)39)27-22-12-20(16-45-18(3)4)8-10-25(22)38-31(27)30(28)37(24)26-13-35(41,33(40)42-6)34(38,5)43-26/h7-12,17-18,26,41H,13-16H2,1-6H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
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Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108292
(CHEMBL37529 | Indolocarbazole analogue)Show SMILES CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C35H37N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h7-10,13-14,26,41H,5-6,11-12,15-18H2,1-4H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108294
(CHEMBL288818 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13 Show InChI InChI=1S/C35H33N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h5-10,13-14,26,41H,1-2,11-12,15-18H2,3-4H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24948
(3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo...)Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1 Show InChI InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30) | PDB
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| n/a | n/a | 101 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24947
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1 Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29) | PDB
KEGG
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PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108300
(CHEMBL38338 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13 Show InChI InChI=1S/C37H43N5O5S2/c1-36-37(45,35(44)46-6)17-28(47-36)41-26-9-7-21(19-48-13-11-39(2)3)15-23(26)30-31-25(18-38-34(31)43)29-24-16-22(20-49-14-12-40(4)5)8-10-27(24)42(36)33(29)32(30)41/h7-10,15-16,28,45H,11-14,17-20H2,1-6H3,(H,38,43)/t28?,36-,37-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50108291
(CHEMBL36891 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-19-17(11-15)23-24-18(13-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-12-30(36,28(35)37-3)29(33,2)38-21/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50108298
(CHEMBL29709 | Indolocarbazole analogue)Show SMILES CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30-31-25(18-38-34(31)41)29-24-16-22(20-47-14-8-6-2)10-12-27(24)40-33(29)32(30)39(26)28-17-37(43,35(42)44-4)36(40,3)45-28/h9-12,15-16,28,43H,5-8,13-14,17-20H2,1-4H3,(H,38,41)/t28?,36-,37-/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24944
(20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{...)Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1 Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108294
(CHEMBL288818 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13 Show InChI InChI=1S/C35H33N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h5-10,13-14,26,41H,1-2,11-12,15-18H2,3-4H3,(H,36,39)/t26?,34-,35-/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM24943
(20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1 Show InChI InChI=1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26) | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50108293
(CHEMBL277817 | Indolocarbazole analogue)Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of NGF high affinity receptor tyrosine kinase TrkA |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type
(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...) | BDBM50108291
(CHEMBL36891 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-19-17(11-15)23-24-18(13-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-12-30(36,28(35)37-3)29(33,2)38-21/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50108295
(CHEMBL288817 | Indolocarbazole analogue)Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of NGF high affinity receptor tyrosine kinase TrkA |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM24943
(20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1 Show InChI InChI=1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
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Patents
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PubMed
| n/a | n/a | 274 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108298
(CHEMBL29709 | Indolocarbazole analogue)Show SMILES CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30-31-25(18-38-34(31)41)29-24-16-22(20-47-14-8-6-2)10-12-27(24)40-33(29)32(30)39(26)28-17-37(43,35(42)44-4)36(40,3)45-28/h9-12,15-16,28,43H,5-8,13-14,17-20H2,1-4H3,(H,38,41)/t28?,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50108300
(CHEMBL38338 | Indolocarbazole analogue)Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13 Show InChI InChI=1S/C37H43N5O5S2/c1-36-37(45,35(44)46-6)17-28(47-36)41-26-9-7-21(19-48-13-11-39(2)3)15-23(26)30-31-25(18-38-34(31)43)29-24-16-22(20-49-14-12-40(4)5)8-10-27(24)42(36)33(29)32(30)41/h7-10,15-16,28,45H,11-14,17-20H2,1-6H3,(H,38,43)/t28?,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type
(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...) | BDBM50108299
(CHEMBL288229 | Indolocarbazole analogue)Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1 Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type
(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...) | BDBM50108295
(CHEMBL288817 | Indolocarbazole analogue)Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50108298
(CHEMBL29709 | Indolocarbazole analogue)Show SMILES CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 Show InChI InChI=1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30-31-25(18-38-34(31)41)29-24-16-22(20-47-14-8-6-2)10-12-27(24)40-33(29)32(30)39(26)28-17-37(43,35(42)44-4)36(40,3)45-28/h9-12,15-16,28,43H,5-8,13-14,17-20H2,1-4H3,(H,38,41)/t28?,36-,37-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 627 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa-Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Mixed lineage kinase 2(MLK2) |
Bioorg Med Chem Lett 12: 147-50 (2001)
BindingDB Entry DOI: 10.7270/Q2571B94 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM14178
(12,13-dihydro-6H,7H,14H-naphthyl-[3,4-a]pyrrolo[3,...)Show SMILES O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21 Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)19-14-7-3-4-8-17(14)24-21(19)15-10-9-12-5-1-2-6-13(12)18(15)20/h1-8,24H,9-11H2,(H,23,25) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 724 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Cephalon
| Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera... |
J Med Chem 51: 5680-9 (2008)
Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09 |
More data for this
Ligand-Target Pair | |
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