BDBM50505859 CHEMBL4436748

SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1

InChI Key InChIKey=HXNUFFCHRIWTRZ-UHFFFAOYSA-N

Data  10 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50505859   

TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 5nMAssay Description:Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 32nMAssay Description:Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP bas...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of full-length human C-terminal NanoLuc-tagged P38 alpha MAPK expressed in human HEK293T cells incubated for 2 hrs followed by NanoBRET Na...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 10nMAssay Description:Inhibition of p38-beta (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBR...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 2(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 910nMAssay Description:Inhibition of ZAK (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET as...More data for this Ligand-Target Pair
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of KIT (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET as...More data for this Ligand-Target Pair
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of RSK4 kinase domain 1 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate additi...More data for this Ligand-Target Pair
TargetMyosin light chain kinase family member 4(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MYLK4 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET ...More data for this Ligand-Target Pair
TargetDiscoidin domain-containing receptor 2(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of DDR2 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET a...More data for this Ligand-Target Pair
TargetEpithelial discoidin domain-containing receptor 1(Homo sapiens (Human))
Johann Wolfgang Goethe-University

Curated by ChEMBL
LigandPNGBDBM50505859(CHEMBL4436748)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of DDR1 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET a...More data for this Ligand-Target Pair