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BDBM50162996 3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[1-(1,4,4a,8a-tetrahydro-naphthalen-2-yl)-1H-indol-3-yl]-pyrrole-2,5-dione::CHEMBL368895

SMILES: CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12

InChI Key: InChIKey=XYUYSDBKGVJSKN-UHFFFAOYSA-N

Data: 1 KI  14 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50162996   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor erbB1


(Mus musculus)
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Insulin receptor


(Mus musculus)
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Insulin receptor kinase in P19 cells


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 57n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C alpha using [gamma-33P]-ATP


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 2 using [gamma-33P]-ATP


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Mus musculus (mouse))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor in P19 cells


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase/extracellular signal-regulated kinase 2 in P19 cells


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 24n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of IL-8 release by HEK293 cells expressing PKC-beta2


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C gamma using [gamma-33P]-ATP


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 490n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Mus musculus)
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1 in P19 cells


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit Glycogen synthase kinase-3 beta


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 28n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50162996
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[...)
Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C34H29N5O2/c1-37(2)18-9-19-39-29-15-8-6-13-26(29)32(36-39)31-30(33(40)35-34(31)41)27-21-38(28-14-7-5-12-25(27)28)24-17-16-22-10-3-4-11-23(22)20-24/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,35,40,41)
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n/an/a 33n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 1 using [gamma-33P]-ATP


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair