BDBM23353 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-(4-ethylphenyl)ethane-1,2-dione::Tetracyclic aza-amide, 6i

SMILES: CCc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21

InChI Key: InChIKey=VFIYIAGXMXFOIY-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 = 23353   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM23353 (1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...) Show SMILES CCc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18| Show InChI InChI=1S/C27H30N2O5/c1-4-16-8-10-17(11-9-16)25(30)27(32)29-20-6-5-7-21(29)26(31)28-13-12-18-14-19(33-2)15-22(34-3)23(18)24(20)28/h8-11,14-15,20-21,24H,4-7,12-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	123	-9.10	n/a	n/a	n/a	n/a	n/a	8.0	15
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
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