BindingDB PrimarySearch

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

Data: 8 IC50 1 Kd 1 ITC

PDB links: 2 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 2695
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein Kinase C (Rattus norvegicus (rat))	BDBM2695 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...) Show SMILES Show InChI	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
Roche Products Limited					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...) Show SMILES Show InChI	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
Roche Products Limited					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...) Show SMILES Show InChI	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
Roche Products Limited					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...) Show SMILES Show InChI	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
Roche Products Limited					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...) Show SMILES Show InChI	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
Scios, Inc. Curated by ChEMBL					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...) Show SMILES Show InChI	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
Technical University of Dortmund					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...) Show SMILES Show InChI	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
Oxford University Curated by ChEMBL					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...) Show SMILES Show InChI	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
Scios, Inc. Curated by ChEMBL					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...) Show SMILES Show InChI	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
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 2695
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
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	DrugBank MMDB PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB		J Med Chem 48: 7604-14 (2005)