Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance protein CDR1' and Ligand = 'BDBM84139'   

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)	BDBM84139 (2-[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,...) Show SMILES COc1cc2c(cc1NC(=O)CSc1nnc(Cc3cccs3)n1Cc1ccco1)oc1ccccc21 Show InChI InChI=1S/C27H22N4O4S2/c1-33-24-13-20-19-8-2-3-9-22(19)35-23(20)14-21(24)28-26(32)16-37-27-30-29-25(12-18-7-5-11-36-18)31(27)15-17-6-4-10-34-17/h2-11,13-14H,12,15-16H2,1H3,(H,28,32)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	11	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
					More data for this Ligand-Target Pair