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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)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance protein CDR1


(Candida albicans)
BDBM91525
PNG
(MLS002174181 | SMR001261348 | cid_42601169)
Show SMILES COc1ccc2[C@H]3[C@H](COc2c1)[C@H](c1ccccc1)[C@@]1(C)N3C(=O)c2ccc(C)cc2NC1=O
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
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.73E+4n/an/an/an/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
More data for this
Ligand-Target Pair