BindingDB logo
myBDB logout

PubChem AID 588606

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Multidrug resistance protein CDR1


(Candida albicans)		BDBM55148
PNG
(5-(1H-indol-2-ylmethylene)-2-thioxo-hexahydropyrim...)
Show SMILES O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)|
Show InChI InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)6-8-5-7-3-1-2-4-10(7)14-8/h1-6,14H,(H2,15,16,17,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 6.00E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84141
PNG
(4-[2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothio...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C28H29NO4S/c1-30-22-11-12-26-24(19-22)27(28(34-26)23-5-3-4-6-25(23)31-2)20-7-9-21(10-8-20)33-18-15-29-13-16-32-17-14-29/h3-12,19H,13-18H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.00E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84125
PNG
(1-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C30H33NO4S/c1-32-24-11-12-28-27(20-24)29(30(36-28)22-17-25(33-2)19-26(18-22)34-3)21-7-9-23(10-8-21)35-16-15-31-13-5-4-6-14-31/h7-12,17-20H,4-6,13-16H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.07E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84132
PNG
(4-(6-ethylsulfanyl-2-phenyl-pyrimidin-4-yl)morphol...)
Show SMILES CCSc1cc(nc(n1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C16H19N3OS/c1-2-21-15-12-14(19-8-10-20-11-9-19)17-16(18-15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 16n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84136
PNG
(MLS000877345 | SMR000451085 | cid_16682183)
Show SMILES CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccc(Cl)cc1 |c:26|
Show InChI InChI=1S/C25H24ClFN2O4/c1-15(2)23(31)29-11-9-24(10-12-29)25(22(30)19-13-18(27)7-8-21(19)32-24)14-20(28-33-25)16-3-5-17(26)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.26E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM58334
PNG
((5Z)-2-(4-ethylanilino)-5-(4-hydroxy-3,5-dimethoxy...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(OC)c(O)c(OC)c2)cc1 |w:13.14,t:7|
Show InChI InChI=1S/C20H20N2O4S/c1-4-12-5-7-14(8-6-12)21-20-22-19(24)17(27-20)11-13-9-15(25-2)18(23)16(10-13)26-3/h5-11,23H,4H2,1-3H3,(H,21,22,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 6.05E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84122
PNG
(2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophe...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC
Show InChI InChI=1S/C26H27NO3S/c1-27(2)15-16-30-19-11-9-18(10-12-19)25-22-17-20(28-3)13-14-24(22)31-26(25)21-7-5-6-8-23(21)29-4/h5-14,17H,15-16H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.33E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84134
PNG
((2R,3R,4S)-4-(4-bromophenyl)-2-ethoxy-3-(3-hydroxy...)
Show SMILES CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(Br)cc1)C(=O)Nc1ccccc1 |c:5|
Show InChI InChI=1S/C23H26BrNO4/c1-2-28-23-19(9-6-14-26)20(16-10-12-17(24)13-11-16)15-21(29-23)22(27)25-18-7-4-3-5-8-18/h3-5,7-8,10-13,15,19-20,23,26H,2,6,9,14H2,1H3,(H,25,27)/t19-,20-,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.17E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM76987
PNG
(MLS000050953 | N-(4-bromophenyl)-2-[[4-(2-furanylm...)
Show SMILES Brc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H17BrN4O2S2/c21-14-5-7-15(8-6-14)22-19(26)13-29-20-24-23-18(11-17-4-2-10-28-17)25(20)12-16-3-1-9-27-16/h1-10H,11-13H2,(H,22,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 9n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM64469
PNG
(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/an/an/an/a 1.47E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84133
PNG
(5-bromanyl-N-[(2-oxidanylidene-1,3-dihydrobenzimid...)
Show SMILES Brc1cncc(c1)C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C14H8BrN5O2S/c15-8-3-7(5-16-6-8)12(21)20-14(23)17-9-1-2-10-11(4-9)19-13(22)18-10/h1-6H,(H2,17,20,21,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.09E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84137
PNG
(5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morp...)
Show SMILES Cc1ccc(OCc2cc(no2)C(=O)NCC(C)(C)N2CCOCC2)cc1C
Show InChI InChI=1S/C21H29N3O4/c1-15-5-6-17(11-16(15)2)27-13-18-12-19(23-28-18)20(25)22-14-21(3,4)24-7-9-26-10-8-24/h5-6,11-12H,7-10,13-14H2,1-4H3,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84129
PNG
(2,3-bis(chloranyl)-N-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Clc1cccc(C(=O)Nc2ccnc(n2)-c2cccnc2)c1Cl
Show InChI InChI=1S/C16H10Cl2N4O/c17-12-5-1-4-11(14(12)18)16(23)22-13-6-8-20-15(21-13)10-3-2-7-19-9-10/h1-9H,(H,20,21,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 117n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM57893
PNG
((2Z,5Z)-2,5-bis(4-hydroxy-3-methoxybenzylidene)cyc...)
Show SMILES COc1cc(\C=C2\CC\C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3/b15-9-,16-10-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.71E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84130
PNG
((E)-3-(2-chlorophenyl)-N-(2-phenylethyl)-2-propena...)
Show SMILES Clc1ccccc1\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H16ClNO/c18-16-9-5-4-8-15(16)10-11-17(20)19-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,20)/b11-10+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 514n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84121
PNG
(5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-(4-ph...)
Show SMILES Brc1ccc(CN2C(=O)C(Cc3ccccc3)Nc3ncnc(N4CCN(CC4)c4ccccc4)c23)cc1
Show InChI InChI=1S/C30H29BrN6O/c31-24-13-11-23(12-14-24)20-37-27-28(34-26(30(37)38)19-22-7-3-1-4-8-22)32-21-33-29(27)36-17-15-35(16-18-36)25-9-5-2-6-10-25/h1-14,21,26H,15-20H2,(H,32,33,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.11E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84138
PNG
(3-cyclohexyl-1-[[(2S,3S)-10-[(4-methoxyphenyl)carb...)
Show SMILES COc1ccc(NC(=O)Nc2cccc3c2O[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1
Show InChI InChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)25-11-8-12-26(34-30(39)32-23-13-15-24(41-4)16-14-23)28(25)42-27(20)18-35(3)31(40)33-22-9-6-5-7-10-22/h8,11-16,20-22,27,37H,5-7,9-10,17-19H2,1-4H3,(H,33,40)(H2,32,34,39)/t20-,21+,27+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 8.86E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM66298
PNG
(2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)met...)
Show SMILES CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H24FN5O2S/c1-3-32-21-12-8-18(9-13-21)26-23(31)16-33-24-28-27-22(15-20-5-4-14-29(20)2)30(24)19-10-6-17(25)7-11-19/h4-14H,3,15-16H2,1-2H3,(H,26,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 13n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM46319
PNG
(3-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C18H12N2O4S3/c21-15(22)7-8-20-17(23)14(27-18(20)25)9-10-5-6-12(24-10)16-19-11-3-1-2-4-13(11)26-16/h1-6,9H,7-8H2,(H,21,22)/b14-9-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.12E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84131
PNG
(2-benzamidoacetic acid [2-[2-methyl-5-(4-morpholin...)
Show SMILES Cc1ccc(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H25N3O7S/c1-16-7-8-18(33(29,30)25-9-11-31-12-10-25)13-19(16)24-20(26)15-32-21(27)14-23-22(28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 18n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84135
PNG
(MLS000877353 | SMR000451089 | cid_16682116)
Show SMILES Cc1noc(C)c1C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccc(Cl)cc1 |c:31|
Show InChI InChI=1S/C27H23ClFN3O5/c1-15-23(16(2)36-30-15)25(34)32-11-9-26(10-12-32)27(24(33)20-13-19(29)7-8-22(20)35-26)14-21(31-37-27)17-3-5-18(28)6-4-17/h3-8,13H,9-12,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.15E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM75165
PNG
((2E,3Z)-2-(5-methyl-1,3-dihydrobenzimidazol-2-ylid...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(O)c(O)c1)C#N |w:11.13|
Show InChI InChI=1S/C17H13N3O2/c1-10-2-4-13-14(6-10)20-17(19-13)12(9-18)7-11-3-5-15(21)16(22)8-11/h2-8,21-22H,1H3,(H,19,20)/b12-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.34E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84140
PNG
(1-[2-[4-[6-(4-methoxyphenyl)-7-thieno[2,3-f][1,3]b...)
Show SMILES COc1ccc(cc1)-c1sc2cc3OCOc3cc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4S/c1-31-22-9-7-21(8-10-22)29-28(24-17-25-26(34-19-33-25)18-27(24)35-29)20-5-11-23(12-6-20)32-16-15-30-13-3-2-4-14-30/h5-12,17-18H,2-4,13-16,19H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 62n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84126
PNG
(4-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzo...)
Show SMILES COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C29H31NO5S/c1-31-23-8-9-27-26(19-23)28(29(36-27)21-16-24(32-2)18-25(17-21)33-3)20-4-6-22(7-5-20)35-15-12-30-10-13-34-14-11-30/h4-9,16-19H,10-15H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.13E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84128
PNG
(4-[4-(4-isopropylphenyl)-5-methyl-1,3-thiazol-2-yl...)
Show SMILES [H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-3=O)-c1nc(c(-[#6])s1)-c1ccc(cc1)-[#6](-[#6])-[#6])\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:28:3.2,THB:11:6:28:3.2|
Show InChI InChI=1S/C25H28N2O2S/c1-12(2)15-6-8-16(9-7-15)22-14(5)30-25(26-22)27-23(28)20-17-10-11-18(19(17)13(3)4)21(20)24(27)29/h6-9,12,17-18,20-21H,10-11H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 3.79E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM51787
PNG
(2-chloranyl-4-[5-[(1-oxidanylidene-[1,3]thiazolo[3...)
Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C21H11ClN2O4S/c22-14-9-11(5-7-13(14)20(26)27)17-8-6-12(28-17)10-18-19(25)24-16-4-2-1-3-15(16)23-21(24)29-18/h1-10H,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.22E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM76300
PNG
(5-(4-bromobenzyl)-7-ethyl-4-[4-(2-pyridyl)piperazi...)
Show SMILES CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C24H26BrN7O/c1-2-19-24(33)32(15-17-6-8-18(25)9-7-17)21-22(29-19)27-16-28-23(21)31-13-11-30(12-14-31)20-5-3-4-10-26-20/h3-10,16,19H,2,11-15H2,1H3,(H,27,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.24E+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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR1


(Candida albicans)		BDBM84139
PNG
(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/an/an/an/a 11n/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 (2011)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%