Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance protein CDR1' and Ligand = 'BDBM64469'   

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)	BDBM64469 (5,7-bis(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-7...) Show SMILES O=C1C(Cc2ccccc2)Nc2ncnc(N3CCN(CC3)c3ccccc3)c2N1Cc1ccccc1 Show InChI InChI=1S/C30H30N6O/c37-30-26(20-23-10-4-1-5-11-23)33-28-27(36(30)21-24-12-6-2-7-13-24)29(32-22-31-28)35-18-16-34(17-19-35)25-14-8-3-9-15-25/h1-15,22,26H,16-21H2,(H,31,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.47E+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 (2011) BindingDB Entry DOI: 10.7270/Q24M932M
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