Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance protein CDR1' and Ligand = 'BDBM91525'   

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
Multidrug resistance protein CDR1 (Candida albicans)	BDBM91525 (MLS002174181 | SMR001261348 | cid_42601169) Show SMILES [H][C@]12COc3cc(OC)ccc3[C@]1([H])N1C(=O)c3ccc(C)cc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1 Show InChI InChI=1S/C28H26N2O4/c1-16-9-11-19-22(13-16)29-27(32)28(2)24(17-7-5-4-6-8-17)21-15-34-23-14-18(33-3)10-12-20(23)25(21)30(28)26(19)31/h4-14,21,24-25H,15H2,1-3H3,(H,29,32)/t21-,24+,25+,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2ZP44PB
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