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BDBM434879 US10583137, Compound 17::tert-Butyl 3-benzyl-4-(4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazole-1-carbonyl)piperazine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=CQGMWUWJVBKTRM-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 434879   
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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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UniChem
US Patent
n/an/a<400n/an/an/an/an/an/a



THE SCRIPPS RESEARCH INSTITUTE; LEIDEN UNIVERSITY

US Patent


Assay Description
Briefly, membrane proteome (1 mg/ml, 20 μL) was prepared from HEK293T cells (transiently transfected with hDAGLα-FLAG or hDAGLα-S472A-...


US Patent US10583137 (2020)


BindingDB Entry DOI: 10.7270/Q20K2BZX
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Homo sapiens (Human))
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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UniChem
US Patent
n/an/a<400n/an/an/an/an/an/a



THE SCRIPPS RESEARCH INSTITUTE; LEIDEN UNIVERSITY

US Patent


Assay Description
Briefly, membrane proteome (1 mg/ml, 20 μL) was prepared from HEK293T cells (transiently transfected with hDAGLα-FLAG or hDAGLα-S472A-...


US Patent US10583137 (2020)


BindingDB Entry DOI: 10.7270/Q20K2BZX
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGLbeta expressed in HEK293T cell membranes using SAG as substrate preincubated for 30 mins followed by substrate addition by en...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
NCI pathway
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGLbeta expressed in HEK293T cell membranes using SAG as substrate preincubated for 30 mins followed by substrate addition by en...


Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair