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BDBM50009444 CHEMBL3233888

SMILES: Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=DWNZVBRWWMFCAO-HZCBDIJESA-N

Data: 3 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 3 hits for monomerid = 50009444   
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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)|
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)|
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
Reactome pathway
KEGG

UniProtKB/SwissProt
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50009444
PNG
(CHEMBL3233888)
Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)|
Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


Bioorg Med Chem Lett 24: 1790-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19
More data for this
Ligand-Target Pair