BDBM23375 4,6-dimethoxy-17-[(4-phenylbenzene)sulfonyl]-11,17-diazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-3(8),4,6-trien-12-one::Tetracyclic aza-amide, 12d

SMILES: COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1

InChI Key: InChIKey=VYGOTEMSIJGVKN-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 = 23375   

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))	BDBM23375 (4,6-dimethoxy-17-[(4-phenylbenzene)sulfonyl]-11,17...) Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.30| Show InChI InChI=1S/C29H30N2O5S/c1-35-22-17-21-15-16-30-28(27(21)26(18-22)36-2)24-9-6-10-25(29(30)32)31(24)37(33,34)23-13-11-20(12-14-23)19-7-4-3-5-8-19/h3-5,7-8,11-14,17-18,24-25,28H,6,9-10,15-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	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