BDBM6831 1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaen-3-yl}propyl)piperidine-4-carboxamide::indolocarbazole deriv. 12b

SMILES: COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

InChI Key: InChIKey=SMACSUZQJQSVHF-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 6831   

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))	BDBM6831 (1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-tria...) Show SMILES COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C31H31N5O4/c1-34-13-8-17-4-6-21-24(27(17)34)26-25(30(38)33-31(26)39)23-20-7-5-19(40-2)16-22(20)36(28(21)23)12-3-11-35-14-9-18(10-15-35)29(32)37/h4-8,13,16,18H,3,9-12,14-15H2,1-2H3,(H2,32,37)(H,33,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					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: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6831 (1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-tria...) Show SMILES COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C31H31N5O4/c1-34-13-8-17-4-6-21-24(27(17)34)26-25(30(38)33-31(26)39)23-20-7-5-19(40-2)16-22(20)36(28(21)23)12-3-11-35-14-9-18(10-15-35)29(32)37/h4-8,13,16,18H,3,9-12,14-15H2,1-2H3,(H2,32,37)(H,33,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					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: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
CaM Kinase II (Rattus norvegicus (rat))	BDBM6831 (1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-tria...) Show SMILES COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C31H31N5O4/c1-34-13-8-17-4-6-21-24(27(17)34)26-25(30(38)33-31(26)39)23-20-7-5-19(40-2)16-22(20)36(28(21)23)12-3-11-35-14-9-18(10-15-35)29(32)37/h4-8,13,16,18H,3,9-12,14-15H2,1-2H3,(H2,32,37)(H,33,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					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: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM6831 (1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-tria...) Show SMILES COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C31H31N5O4/c1-34-13-8-17-4-6-21-24(27(17)34)26-25(30(38)33-31(26)39)23-20-7-5-19(40-2)16-22(20)36(28(21)23)12-3-11-35-14-9-18(10-15-35)29(32)37/h4-8,13,16,18H,3,9-12,14-15H2,1-2H3,(H2,32,37)(H,33,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					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: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM6831 (1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-tria...) Show SMILES COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C31H31N5O4/c1-34-13-8-17-4-6-21-24(27(17)34)26-25(30(38)33-31(26)39)23-20-7-5-19(40-2)16-22(20)36(28(21)23)12-3-11-35-14-9-18(10-15-35)29(32)37/h4-8,13,16,18H,3,9-12,14-15H2,1-2H3,(H2,32,37)(H,33,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					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: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair