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SMILES: Nc1nc2NC(CC(c3cccs3)n2n1)c1ccc(Br)cc1

InChI Key: InChIKey=LQIHLRIYPKSCNX-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44606   
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
Fructose-bisphosphate aldolase


(Mycobacterium tuberculosis (strain H37Rv))		BDBM44606
PNG
(5-(4-bromophenyl)-7-thiophen-2-yl-1,5,6,7-tetrahyd...)
Show SMILES Nc1nc2NC(CC(c3cccs3)n2n1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrN5S/c16-10-5-3-9(4-6-10)11-8-12(13-2-1-7-22-13)21-15(18-11)19-14(17)20-21/h1-7,11-12H,8H2,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 4.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM44606
PNG
(5-(4-bromophenyl)-7-thiophen-2-yl-1,5,6,7-tetrahyd...)
Show SMILES Nc1nc2NC(CC(c3cccs3)n2n1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrN5S/c16-10-5-3-9(4-6-10)11-8-12(13-2-1-7-22-13)21-15(18-11)19-14(17)20-21/h1-7,11-12H,8H2,(H3,17,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 4.93E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair