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BDBM50108298 CHEMBL29709::Indolocarbazole analogue

SMILES: CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45

InChI Key: InChIKey=CMAAJKFJPMUHEN-GWAZHQGNSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50108298   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM50108298
PNG
(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/an/a 627n/an/an/an/an/an/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
PNG
(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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 143n/an/an/an/an/an/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
Protein kinase C (PKC)


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108298
PNG
(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

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>7.60E+3n/an/an/an/an/an/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))
BDBM50108298
PNG
(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

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/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 9 (MLK1)


(Homo sapiens (Human))
BDBM50108298
PNG
(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

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 303n/an/an/an/an/an/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