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BDBM50107789 (R)-methyl 5-(6-methyl-4'-(trifluoromethyl)biphenyl-2-ylcarboxamido)-2,3-dihydro-1H-inden-2-ylcarbamate::CHEMBL423915::{5-[(6-Methyl-4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-indan-2-yl}-carbamic acid methyl ester

SMILES: COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1

InChI Key: InChIKey=JKHYOWBRQRJSTQ-OAQYLSRUSA-N

Data: 5 IC50

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 5 hits for monomerid = 50107789   
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
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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PubMed
n/an/a 70n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MTP using MTP transfer assay


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
Apolipoprotein B-100


(Homo sapiens (Human))
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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PubMed
n/an/a 6.40n/an/an/an/an/an/a



Novartis Institute for Biomedical Reasearch

Curated by ChEMBL


Assay Description
Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM


J Med Chem 44: 4677-87 (2001)


BindingDB Entry DOI: 10.7270/Q23F4NXH
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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Article
PubMed
n/an/a 3.42E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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Article
PubMed
n/an/a 2.48E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair
Microsomal triglyceride transfer protein


(Homo sapiens (Human))
BDBM50107789
PNG
((R)-methyl 5-(6-methyl-4'-(trifluoromethyl)bipheny...)
Show SMILES COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(cc3)C(F)(F)F)cc2C1 |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-15-4-3-5-22(23(15)16-6-9-19(10-7-16)26(27,28)29)24(32)30-20-11-8-17-12-21(14-18(17)13-20)31-25(33)34-2/h3-11,13,21H,12,14H2,1-2H3,(H,30,32)(H,31,33)/t21-/m1/s1
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA


Bioorg Med Chem Lett 19: 328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.096
BindingDB Entry DOI: 10.7270/Q29887ZN
More data for this
Ligand-Target Pair