BDBM2691 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione::BIM-3::Bisindolyl deriv. 19

SMILES: NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12

InChI Key: InChIKey=APYXQTXFRIDSGE-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 1 PDB ID matches this monomer. 8 PDB IDs contain this monomer as substructures. 8 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 13 hits for monomerid = 2691   

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
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Glaxo					Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...				J Biol Chem 266: 15771-81 (1991) BindingDB Entry DOI: 10.7270/Q2FF3QJ4
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Rattus norvegicus (rat))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Glaxo					Assay Description The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.				J Biol Chem 266: 15771-81 (1991) BindingDB Entry DOI: 10.7270/Q2FF3QJ4
					More data for this Ligand-Target Pair
Phosphorylase Kinase (Oryctolagus cuniculus (rabbit))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Glaxo					Assay Description The activity of PK is measured by its ability to transfer from [gamma-32P]ATP to phosphorylase b.				J Biol Chem 266: 15771-81 (1991) BindingDB Entry DOI: 10.7270/Q2FF3QJ4
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (aa 51-359) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.00E+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)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+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)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (L159M) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.00E+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)
Calcium/calmodulin-dependent protein kinase type II subunit delta (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	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	380	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: 2399-403 (2008) Article DOI: 10.1016/j.bmcl.2008.02.057 BindingDB Entry DOI: 10.7270/Q2M61M4W
					More data for this Ligand-Target Pair
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (E166D) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.70E+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)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (T222A) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.80E+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)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T/T222A) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+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)
Calcium/calmodulin-dependent protein kinase type II subunit delta (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	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	380	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
Calcium/calmodulin-dependent protein kinase type II subunit delta (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	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	380	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
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (A162V) (Homo sapiens (Human))	BDBM2691 (3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...) Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.40E+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)