BDBM23373 4-({4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-triene-17-}sulfonyl)benzonitrile::Tetracyclic aza-amide, 12b

SMILES: COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1

InChI Key: InChIKey=DEICWEOUUHPMHI-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 = 23373   

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))	BDBM23373 (4-({4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11....) Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26| Show InChI InChI=1S/C24H25N3O5S/c1-31-17-12-16-10-11-26-23(22(16)21(13-17)32-2)19-4-3-5-20(24(26)28)27(19)33(29,30)18-8-6-15(14-25)7-9-18/h6-9,12-13,19-20,23H,3-5,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	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