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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'nguyen' and Initial = 'mt'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Homo sapiens (Human))
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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n/an/a 23n/an/an/an/an/an/a



Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin) using L-dihydroxyphenylalanine as substrate preincubated for 30 mins followed by substrate addition measure...


J Nat Prod 80: 3172-3178 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00453
BindingDB Entry DOI: 10.7270/Q2VD71Z4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Mus musculus)
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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n/an/a 57n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPV4 receptor expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-stimulated calcium flux after 10 mins


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50311785
PNG
(CHEMBL1079421 | Phenmedipham)
Show SMILES COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
Show InChI InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 77n/an/an/an/an/an/a



Renovis, Inc

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


Bioorg Med Chem Lett 19: 6793-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.086
BindingDB Entry DOI: 10.7270/Q2BV7GRN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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n/an/a 120n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-stimulated calcium flux after 10 mins


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50311785
PNG
(CHEMBL1079421 | Phenmedipham)
Show SMILES COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
Show InChI InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 152n/an/an/an/an/an/a



Renovis, Inc

Curated by ChEMBL


Assay Description
Inhibition of human FAAH-mediated hydrolysis of [3H]AEA


Bioorg Med Chem Lett 19: 6793-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.086
BindingDB Entry DOI: 10.7270/Q2BV7GRN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117640
PNG
(CHEMBL3613639)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)cc1
Show InChI InChI=1S/C20H24F5N3O3S2/c1-15(2)27-11-13-28(14-12-27)32(30,31)18-7-5-17(6-8-18)26-20(29)16-3-9-19(10-4-16)33(21,22,23,24)25/h3-10,15H,11-14H2,1-2H3,(H,26,29)
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n/an/a 260n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Mus musculus)
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117639
PNG
(CHEMBL3613640)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F4N3O3S/c1-14(2)27-9-11-28(12-10-27)32(30,31)17-6-4-16(5-7-17)26-20(29)18-8-3-15(13-19(18)22)21(23,24)25/h3-8,13-14H,9-12H2,1-2H3,(H,26,29)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50311785
PNG
(CHEMBL1079421 | Phenmedipham)
Show SMILES COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
Show InChI InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
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n/an/a 377n/an/an/an/an/an/a



Renovis, Inc

Curated by ChEMBL


Assay Description
Inhibition of human FAAH


Bioorg Med Chem Lett 19: 6793-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.086
BindingDB Entry DOI: 10.7270/Q2BV7GRN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117639
PNG
(CHEMBL3613640)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F4N3O3S/c1-14(2)27-9-11-28(12-10-27)32(30,31)17-6-4-16(5-7-17)26-20(29)18-8-3-15(13-19(18)22)21(23,24)25/h3-8,13-14H,9-12H2,1-2H3,(H,26,29)
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n/an/a 380n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117640
PNG
(CHEMBL3613639)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(F)(F)(F)(F)F)cc1
Show InChI InChI=1S/C20H24F5N3O3S2/c1-15(2)27-11-13-28(14-12-27)32(30,31)18-7-5-17(6-8-18)26-20(29)16-3-9-19(10-4-16)33(21,22,23,24)25/h3-10,15H,11-14H2,1-2H3,(H,26,29)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117646
PNG
(CHEMBL3613628)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C24H33N3O3S/c1-18(2)26-14-16-27(17-15-26)31(29,30)22-12-10-21(11-13-22)25-23(28)19-6-8-20(9-7-19)24(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,25,28)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50311786
PNG
(Amperozide | CHEMBL1079935)
Show SMILES CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
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Renovis, Inc

Curated by ChEMBL


Assay Description
Inhibition of human FAAH-mediated hydrolysis of [3H]AEA


Bioorg Med Chem Lett 19: 6793-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.086
BindingDB Entry DOI: 10.7270/Q2BV7GRN
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50460516
PNG
(CHEMBL4227539)
Show SMILES Clc1cccc2c1nc(OCc1ccccc1)oc2=O
Show InChI InChI=1S/C15H10ClNO3/c16-12-8-4-7-11-13(12)17-15(20-14(11)18)19-9-10-5-2-1-3-6-10/h1-8H,9H2
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KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117638
PNG
(CHEMBL3613641)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H23F6N3O3S/c1-14(2)30-9-11-31(12-10-30)35(33,34)17-6-4-16(5-7-17)29-20(32)18-8-3-15(21(23,24)25)13-19(18)22(26,27)28/h3-8,13-14H,9-12H2,1-2H3,(H,29,32)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117638
PNG
(CHEMBL3613641)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H23F6N3O3S/c1-14(2)30-9-11-31(12-10-30)35(33,34)17-6-4-16(5-7-17)29-20(32)18-8-3-15(21(23,24)25)13-19(18)22(26,27)28/h3-8,13-14H,9-12H2,1-2H3,(H,29,32)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 20% hypotonic solution-induced Ca2+ influx


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117645
PNG
(CHEMBL3613629)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O3S/c1-15(2)26-11-13-27(14-12-26)31(29,30)19-9-7-18(8-10-19)25-20(28)16-3-5-17(6-4-16)21(22,23)24/h3-10,15H,11-14H2,1-2H3,(H,25,28)
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n/an/a 710n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117650
PNG
(CHEMBL3613638)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C23H26F3N3O3S/c24-23(25,26)18-7-5-17(6-8-18)22(30)27-19-9-11-21(12-10-19)33(31,32)29-15-13-28(14-16-29)20-3-1-2-4-20/h5-12,20H,1-4,13-16H2,(H,27,30)
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n/an/a 800n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117652
PNG
(CHEMBL3613636)
Show SMILES CCN(CC)C1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H28F3N3O3S/c1-3-28(4-2)20-13-15-29(16-14-20)33(31,32)21-11-9-19(10-12-21)27-22(30)17-5-7-18(8-6-17)23(24,25)26/h5-12,20H,3-4,13-16H2,1-2H3,(H,27,30)
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n/an/a 910n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117647
PNG
(CHEMBL3613627)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C25H27ClN4O3S/c1-18(2)29-14-16-30(17-15-29)34(32,33)22-11-9-21(10-12-22)28-25(31)20-7-5-19(6-8-20)24-23(26)4-3-13-27-24/h3-13,18H,14-17H2,1-2H3,(H,28,31)
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n/an/a 930n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117637
PNG
(CHEMBL3613643)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H25F3N4O3S/c1-14(2)27-9-11-28(12-10-27)32(30,31)17-6-4-16(5-7-17)26-20(29)18-8-3-15(13-19(18)25)21(22,23)24/h3-8,13-14H,9-12,25H2,1-2H3,(H,26,29)
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n/an/a 930n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117645
PNG
(CHEMBL3613629)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O3S/c1-15(2)26-11-13-27(14-12-26)31(29,30)19-9-7-18(8-10-19)25-20(28)16-3-5-17(6-4-16)21(22,23)24/h3-10,15H,11-14H2,1-2H3,(H,25,28)
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n/an/a 940n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117646
PNG
(CHEMBL3613628)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C24H33N3O3S/c1-18(2)26-14-16-27(17-15-26)31(29,30)22-12-10-21(11-13-22)25-23(28)19-6-8-20(9-7-19)24(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,25,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117651
PNG
(CHEMBL3613637)
Show SMILES CCN(C)C1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N3O3S/c1-3-27(2)19-12-14-28(15-13-19)32(30,31)20-10-8-18(9-11-20)26-21(29)16-4-6-17(7-5-16)22(23,24)25/h4-11,19H,3,12-15H2,1-2H3,(H,26,29)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117654
PNG
(CHEMBL3613634)
Show SMILES CC(C)N1CCCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N3O3S/c1-16(2)27-12-3-13-28(15-14-27)32(30,31)20-10-8-19(9-11-20)26-21(29)17-4-6-18(7-5-17)22(23,24)25/h4-11,16H,3,12-15H2,1-2H3,(H,26,29)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50311786
PNG
(Amperozide | CHEMBL1079935)
Show SMILES CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Renovis, Inc

Curated by ChEMBL


Assay Description
Inhibition of human FAAH


Bioorg Med Chem Lett 19: 6793-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.086
BindingDB Entry DOI: 10.7270/Q2BV7GRN
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50460510
PNG
(CHEMBL4225584)
Show SMILES Clc1cccc2nc(OCc3ccccc3)oc(=O)c12
Show InChI InChI=1S/C15H10ClNO3/c16-11-7-4-8-12-13(11)14(18)20-15(17-12)19-9-10-5-2-1-3-6-10/h1-8H,9H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117644
PNG
(CHEMBL3613630)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O3S/c1-15(2)26-10-12-27(13-11-26)31(29,30)19-8-6-18(7-9-19)25-20(28)16-4-3-5-17(14-16)21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of 20% hypotonic solution-induced Ca2+ influx


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117653
PNG
(CHEMBL3613635)
Show SMILES CN(C)C1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O3S/c1-26(2)18-11-13-27(14-12-18)31(29,30)19-9-7-17(8-10-19)25-20(28)15-3-5-16(6-4-15)21(22,23)24/h3-10,18H,11-14H2,1-2H3,(H,25,28)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117644
PNG
(CHEMBL3613630)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O3S/c1-15(2)26-10-12-27(13-11-26)31(29,30)19-8-6-18(7-9-19)25-20(28)16-4-3-5-17(14-16)21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H,25,28)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50460511
PNG
(CHEMBL4225103)
Show SMILES Cc1cccc2nc(OCC#C)oc(=O)c12
Show InChI InChI=1S/C12H9NO3/c1-3-7-15-12-13-9-6-4-5-8(2)10(9)11(14)16-12/h1,4-6H,7H2,2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117637
PNG
(CHEMBL3613643)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2N)C(F)(F)F)cc1
Show InChI InChI=1S/C21H25F3N4O3S/c1-14(2)27-9-11-28(12-10-27)32(30,31)17-6-4-16(5-7-17)26-20(29)18-8-3-15(13-19(18)25)21(22,23)24/h3-8,13-14H,9-12,25H2,1-2H3,(H,26,29)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50406296
PNG
(CHEMBL145012)
Show SMILES O=c1oc(OCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16-15(19-14)18-10-11-6-2-1-3-7-11/h1-9H,10H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117647
PNG
(CHEMBL3613627)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C25H27ClN4O3S/c1-18(2)29-14-16-30(17-15-29)34(32,33)22-11-9-21(10-12-22)28-25(31)20-7-5-19(6-8-20)24-23(26)4-3-13-27-24/h3-13,18H,14-17H2,1-2H3,(H,28,31)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117641
PNG
(CHEMBL3613633)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H15F3N2O3S/c1-21(2)25(23,24)14-9-7-13(8-10-14)20-15(22)11-3-5-12(6-4-11)16(17,18)19/h3-10H,1-2H3,(H,20,22)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117649
PNG
(CHEMBL3613625)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O3S/c1-16(2)22-12-14-23(15-13-22)27(25,26)19-10-8-18(9-11-19)21-20(24)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50460512
PNG
(CHEMBL4225312)
Show SMILES Cc1ccc2nc(OCc3ccccc3)oc(=O)c2c1
Show InChI InChI=1S/C16H13NO3/c1-11-7-8-14-13(9-11)15(18)20-16(17-14)19-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117648
PNG
(CHEMBL3613626)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
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n/an/a 4.93E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117641
PNG
(CHEMBL3613633)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H15F3N2O3S/c1-21(2)25(23,24)14-9-7-13(8-10-14)20-15(22)11-3-5-12(6-4-11)16(17,18)19/h3-10H,1-2H3,(H,20,22)
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n/an/a 5.74E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50460514
PNG
(CHEMBL4229256)
Show SMILES Clc1cccc2nc(OCC#C)oc(=O)c12
Show InChI InChI=1S/C11H6ClNO3/c1-2-6-15-11-13-8-5-3-4-7(12)9(8)10(14)16-11/h1,3-5H,6H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117648
PNG
(CHEMBL3613626)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
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n/an/a 6.49E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50288096
PNG
(5-Chloro-2-ethoxy-benzo[d][1,3]oxazin-4-one | CHEM...)
Show SMILES CCOc1nc2cccc(Cl)c2c(=O)o1
Show InChI InChI=1S/C10H8ClNO3/c1-2-14-10-12-7-5-3-4-6(11)8(7)9(13)15-10/h3-5H,2H2,1H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Rhomboid protease GluP


(Bacillus subtilis (strain 168))
BDBM50460513
PNG
(CHEMBL4228380)
Show SMILES O=c1oc(OCc2ccccc2)nc2cc3ccccc3cc12
Show InChI InChI=1S/C19H13NO3/c21-18-16-10-14-8-4-5-9-15(14)11-17(16)20-19(23-18)22-12-13-6-2-1-3-7-13/h1-11H,12H2
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n/an/a 7.30E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP m...


Bioorg Med Chem Lett 28: 1423-1427 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.056
BindingDB Entry DOI: 10.7270/Q2WH2SM6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50117649
PNG
(CHEMBL3613625)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O3S/c1-16(2)22-12-14-23(15-13-22)27(25,26)19-10-8-18(9-11-19)21-20(24)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)
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n/an/a 8.53E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 m...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM26194
PNG
(4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...)
Show SMILES OC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
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n/an/a 9.35E+3n/an/an/an/an/an/a



Hiroshima University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells


J Nat Prod 80: 3172-3178 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00453
BindingDB Entry DOI: 10.7270/Q2VD71Z4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50117642
PNG
(CHEMBL3613632)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3N3O2/c1-15(2)27-11-13-28(14-12-27)21(30)17-5-9-19(10-6-17)26-20(29)16-3-7-18(8-4-16)22(23,24)25/h3-10,15H,11-14H2,1-2H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 min...


Bioorg Med Chem Lett 25: 4011-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.098
BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
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