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3 similar compounds to monomer 50193606

Wt: 373.3
BDBM50193612
Wt: 449.4
BDBM50193640
Wt: 353.4
BDBM50444737

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50193612,50193640,50444737   
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
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50193640
PNG
(CHEMBL215258 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H22F3N3O/c1-2-3-20-15-23(30)22-14-21(12-13-24(22)31-20)32-25(33)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,2-3H2,1H3,(H2,30,31)(H,32,33)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50193612
PNG
(CHEMBL214936 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H18F3N3O/c1-2-3-14-11-17(24)16-10-15(8-9-18(16)25-14)26-19(27)12-4-6-13(7-5-12)20(21,22)23/h4-11H,2-3H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50444737
PNG
(CHEMBL3099029)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccccc3)ccc2n1
Show InChI InChI=1S/C23H19N3O/c1-15-13-21(24)20-14-19(11-12-22(20)25-15)26-23(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H2,24,25)(H,26,27)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Microbiotix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by fluorescence plate reader analysis


Bioorg Med Chem 22: 419-34 (2013)


Article DOI: 10.1016/j.bmc.2013.11.009
BindingDB Entry DOI: 10.7270/Q2QV3NZ9
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50444737
PNG
(CHEMBL3099029)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccccc3)ccc2n1
Show InChI InChI=1S/C23H19N3O/c1-15-13-21(24)20-14-19(11-12-22(20)25-15)26-23(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3,(H2,24,25)(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assay


Bioorg Med Chem 22: 419-34 (2013)


Article DOI: 10.1016/j.bmc.2013.11.009
BindingDB Entry DOI: 10.7270/Q2QV3NZ9
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50193640
PNG
(CHEMBL215258 | N-(4-amino-2-propylquinolin-6-yl)-4...)
Show SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H22F3N3O/c1-2-3-20-15-23(30)22-14-21(12-13-24(22)31-20)32-25(33)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,2-3H2,1H3,(H2,30,31)(H,32,33)
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n/an/an/an/a 310n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.008
BindingDB Entry DOI: 10.7270/Q26T0M8S
More data for this
Ligand-Target Pair