BDBM6812 23-fluoro-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. 3ee

SMILES: Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12

InChI Key: InChIKey=YNVJFXDCRAXAKP-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 = 6812   

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))	BDBM6812 (23-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0...) Show SMILES Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12 Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-8-11(22)14-15(19(9)25)17-16(20(26)24-21(17)27)13-10-4-2-3-5-12(10)23-18(13)14/h2-8,23H,1H3,(H,24,26,27)	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	67	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))	BDBM6812 (23-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0...) Show SMILES Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12 Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-8-11(22)14-15(19(9)25)17-16(20(26)24-21(17)27)13-10-4-2-3-5-12(10)23-18(13)14/h2-8,23H,1H3,(H,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	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))	BDBM6812 (23-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0...) Show SMILES Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12 Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-8-11(22)14-15(19(9)25)17-16(20(26)24-21(17)27)13-10-4-2-3-5-12(10)23-18(13)14/h2-8,23H,1H3,(H,24,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	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))	BDBM6812 (23-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0...) Show SMILES Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12 Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-8-11(22)14-15(19(9)25)17-16(20(26)24-21(17)27)13-10-4-2-3-5-12(10)23-18(13)14/h2-8,23H,1H3,(H,24,26,27)	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	16	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