BDBM6822 3-(3-hydroxypropyl)-6-methoxy-18-methyl-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-nonaene-12,14-dione::indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3oo

SMILES: COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

InChI Key: InChIKey=IWZCQGXBQFPXKT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 6822   

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))	BDBM6822 (3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...) Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	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
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM6822 (3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...) Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+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))	BDBM6822 (3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...) Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	113	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))	BDBM6822 (3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...) Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	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