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SMILES: Brc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1

InChI Key: InChIKey=QCLNVHACYZAFMU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 76987   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

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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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
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

antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a 3.12E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair