BDBM23368 1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-17-yl}-2-(pyridin-3-yl)ethane-1,2-dione::Tetracyclic aza-amide, 7b

SMILES: COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccnc4)C3=O)c2c(OC)c1

InChI Key: InChIKey=DOMYQNDGOGEIPJ-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 23368   

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
Immunophilin FKBP12 (Bos taurus (bovine))	BDBM23368 (1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...) Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccnc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25| Show InChI InChI=1S/C24H25N3O5/c1-31-16-11-14-8-10-26-21(20(14)19(12-16)32-2)17-6-3-7-18(23(26)29)27(17)24(30)22(28)15-5-4-9-25-13-15/h4-5,9,11-13,17-18,21H,3,6-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...				J Med Chem 49: 1202-6 (2006) Article DOI: 10.1021/jm049161u BindingDB Entry DOI: 10.7270/Q2BR8QG9
					More data for this Ligand-Target Pair