BDBM46031 US8901295, F542

SMILES: Nc1ccc(CNC(=O)NCC(O)N2CCCCC2C(=O)N2CCCC2)cc1

InChI Key: InChIKey=MTRDTWZSWNYKHF-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 46031   

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
Cyclophilin B (CypB) (Homo sapiens (Human))	BDBM46031 (US8901295, F542) Show SMILES Nc1ccc(CNC(=O)NCC(O)N2CCCCC2C(=O)N2CCCC2)cc1 Show InChI InChI=1S/C20H31N5O3/c21-16-8-6-15(7-9-16)13-22-20(28)23-14-18(26)25-12-2-1-5-17(25)19(27)24-10-3-4-11-24/h6-9,17-18,26H,1-5,10-14,21H2,(H2,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair