BDBM6706 1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,11}.0^{5,10}.0^{12,16}.0^{22,27}]heptacosa-2(17),3(11),5(10),6,8,12(16),18(27),19,21-nonaene-13,15-dione hydrochloride::aza-1,7-annulated indole deriv. 12a

SMILES: O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21

InChI Key: InChIKey=XKWGQYSHLNEUOC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 6706   

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))	BDBM6706 (1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21 Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)	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	27	n/a	n/a	n/a	n/a	7.0	22
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 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM6706 (1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21 Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM6706 (1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21 Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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 14: 3925-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.088 BindingDB Entry DOI: 10.7270/Q2TX3CKP
					More data for this Ligand-Target Pair