Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aquaporin-1' and Ligand = 'BDBM94509'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aquaporin-1 (Homo sapiens (Human))	BDBM94509 ((E)-2-butenedioic acid;2-[4-tert-butyl-1-[(4-fluor...) Show SMILES CN(C)CCOC1(Cc2ccc(F)cc2)CCC(CC1)C(C)(C)C |(.83,11.12,;1.6,9.78,;.83,8.45,;3.14,9.78,;3.91,8.45,;5.45,8.45,;6.22,7.11,;6.99,8.45,;8.53,8.45,;9.3,7.11,;10.84,7.11,;11.61,8.45,;13.15,8.45,;10.84,9.78,;9.3,9.78,;7.55,6.34,;7.55,4.8,;6.22,4.03,;4.88,4.8,;4.88,6.34,;6.22,2.49,;6.22,.95,;4.68,2.49,;7.76,2.49,)| Show InChI InChI=1S/C21H34FNO/c1-20(2,3)18-10-12-21(13-11-18,24-15-14-23(4)5)16-17-6-8-19(22)9-7-17/h6-9,18H,10-16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
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