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4 similar compounds to monomer 50430555

Compile data set for download or QSAR
Wt: 219.3
BDBM50018121
Wt: 453.7
BDBM50430554
Wt: 399.6
BDBM50430556
Wt: 385.6
BDBM50430558

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50018121,50430554,50430556,50430558   
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
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50018121
PNG
(2-(Benzyl-methyl-amino)-cyclohexanol | CHEMBL21270)
Show SMILES CN(Cc1ccccc1)C1CCCCC1O
Show InChI InChI=1S/C14H21NO/c1-15(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles


J Med Chem 32: 1217-30 (1989)


Article DOI: 10.1021/jm00126a013
BindingDB Entry DOI: 10.7270/Q2TQ60JR
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430558
PNG
(CHEMBL2336925)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCc1ccccc1
Show InChI InChI=1S/C26H43NO/c1-19(2)10-9-11-20(3)22-14-16-26(5)24(28)23(15-17-25(22,26)4)27-18-21-12-7-6-8-13-21/h6-8,12-13,19-20,22-24,27-28H,9-11,14-18H2,1-5H3/t20-,22-,23+,24+,25-,26+/m1/s1
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PC cid
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UniChem

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Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430556
PNG
(CHEMBL2336934)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)Cc1ccccc1
Show InChI InChI=1S/C27H45NO/c1-20(2)11-10-12-21(3)23-15-17-27(5)25(29)24(16-18-26(23,27)4)28(6)19-22-13-8-7-9-14-22/h7-9,13-14,20-21,23-25,29H,10-12,15-19H2,1-6H3/t21-,23-,24+,25+,26-,27+/m1/s1
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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430554
PNG
(CHEMBL2336918)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(CCCC=C)Cc1ccccc1
Show InChI InChI=1S/C31H51NO/c1-7-8-12-22-32(23-26-16-10-9-11-17-26)28-19-21-30(5)27(18-20-31(30,6)29(28)33)25(4)15-13-14-24(2)3/h7,9-11,16-17,24-25,27-29,33H,1,8,12-15,18-23H2,2-6H3/t25-,27-,28+,29+,30-,31+/m1/s1
PDB

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Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair