BDBM6780 3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione::bis-indolylmaleimide deriv. 8j

SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12

InChI Key: InChIKey=UBUCTCIBRLMJKZ-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 9 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 4 hits for monomerid = 6780   

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
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6780 (3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-met...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C24H21N3O4/c1-26-11-17(15-6-2-4-8-19(15)26)21-22(24(31)25-23(21)30)18-12-27(10-14(29)13-28)20-9-5-3-7-16(18)20/h2-9,11-12,14,28-29H,10,13H2,1H3,(H,25,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6780 (3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-met...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C24H21N3O4/c1-26-11-17(15-6-2-4-8-19(15)26)21-22(24(31)25-23(21)30)18-12-27(10-14(29)13-28)20-9-5-3-7-16(18)20/h2-9,11-12,14,28-29H,10,13H2,1H3,(H,25,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CDK2				Eur J Med Chem 56: 292-300 (2012) Article DOI: 10.1016/j.ejmech.2012.08.002 BindingDB Entry DOI: 10.7270/Q2Q241HG
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM6780 (3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-met...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C24H21N3O4/c1-26-11-17(15-6-2-4-8-19(15)26)21-22(24(31)25-23(21)30)18-12-27(10-14(29)13-28)20-9-5-3-7-16(18)20/h2-9,11-12,14,28-29H,10,13H2,1H3,(H,25,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM6780 (3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-met...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C24H21N3O4/c1-26-11-17(15-6-2-4-8-19(15)26)21-22(24(31)25-23(21)30)18-12-27(10-14(29)13-28)20-9-5-3-7-16(18)20/h2-9,11-12,14,28-29H,10,13H2,1H3,(H,25,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 13: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
					More data for this Ligand-Target Pair