BDBM2695 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione::BIM-8::Bisindolylmaleimide VIII::Bisindolylmaleimide deriv. 2b::ROCHE screening, 49::Ro 31-7549
SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12
InChI Key: InChIKey=UQHKJRCFSLMWIA-UHFFFAOYSA-N
PDB links: 2 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Protein Kinase C (Rattus norvegicus (rat)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Roche Products Limited | Assay Description The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his... | J Med Chem 36: 21-9 (1993) Article DOI: 10.1021/jm00053a003 BindingDB Entry DOI: 10.7270/Q29P2ZTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | 8.5 | 37 |
Roche Products Limited | Assay Description The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone. | J Med Chem 36: 21-9 (1993) Article DOI: 10.1021/jm00053a003 BindingDB Entry DOI: 10.7270/Q29P2ZTD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Kinase C (Rattus norvegicus (rat)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Roche Products Limited | Assay Description The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his... | J Med Chem 35: 994-1001 (1992) Article DOI: 10.1021/jm00084a004 BindingDB Entry DOI: 10.7270/Q2M043KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | 8.5 | 37 |
Roche Products Limited | Assay Description The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone. | J Med Chem 35: 994-1001 (1992) Article DOI: 10.1021/jm00084a004 BindingDB Entry DOI: 10.7270/Q2M043KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent protein kinase type II subunit delta (Homo sapiens (Human)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc. Curated by ChEMBL | Assay Description Inhibition of CaMK2delta | Bioorg Med Chem Lett 18: 2395-8 (2008) Article DOI: 10.1016/j.bmcl.2008.02.058 BindingDB Entry DOI: 10.7270/Q2QZ2BVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Dortmund | Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s... | ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Oxford University Curated by ChEMBL | Assay Description Binding affinity to non phosphorylated PIM1 | J Med Chem 48: 7604-14 (2005) Article DOI: 10.1021/jm0504858 BindingDB Entry DOI: 10.7270/Q2Q52R4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium/calmodulin-dependent protein kinase type II subunit delta (Homo sapiens (Human)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc. Curated by ChEMBL | Assay Description Inhibition of CaMK2delta | Bioorg Med Chem Lett 18: 2390-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.059 BindingDB Entry DOI: 10.7270/Q27W6D2W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-phosphoinositide-dependent protein kinase 1 (aa 51-359) (Homo sapiens (Human)) | BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | PDB GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Dundee | Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco... | Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
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BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) | Serine/threonine-protein kinase PIM (Homo sapiens (Human)) | DrugBank MMDB PC cid PC sid PDB | DrugBank GoogleScholar KEGG PDB | -10.3 | -0.392 | -9.88 | 7.93 | 7.5 | 10 | |
Oxford University | J Med Chem 48: 7604-14 (2005) |