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PubMed code 26191399

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134204
PNG
(CHEMBL3740772)
Show SMILES CC(=O)Nc1ccc2-c3ccc(NC(C)=O)cc3C(=O)c2c1
Show InChI InChI=1S/C17H14N2O3/c1-9(20)18-11-3-5-13-14-6-4-12(19-10(2)21)8-16(14)17(22)15(13)7-11/h3-8H,1-2H3,(H,18,20)(H,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50135099
PNG
(CHEMBL3739636)
Show SMILES CS(=O)(=O)Nc1ccc2-c3ccc(NS(C)(=O)=O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H14N2O5S2/c1-23(19,20)16-9-3-5-11-12-6-4-10(17-24(2,21)22)8-14(12)15(18)13(11)7-9/h3-8,16-17H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50135098
PNG
(CHEMBL3741585)
Show SMILES NC(=O)Nc1ccc2-c3ccc(NC(N)=O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H12N4O3/c16-14(21)18-7-1-3-9-10-4-2-8(19-15(17)22)6-12(10)13(20)11(9)5-7/h1-6H,(H3,16,18,21)(H3,17,19,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134208
PNG
(CHEMBL3742039)
Show SMILES FC(F)(F)C(=O)Nc1ccc2-c3ccc(NC(=O)C(F)(F)F)cc3C(=O)c2c1
Show InChI InChI=1S/C17H8F6N2O3/c18-16(19,20)14(27)24-7-1-3-9-10-4-2-8(25-15(28)17(21,22)23)6-12(10)13(26)11(9)5-7/h1-6H,(H,24,27)(H,25,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134205
PNG
(CHEMBL3741102)
Show SMILES CCC(=O)Nc1ccc2-c3ccc(NC(=O)CC)cc3C(=O)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-3-17(22)20-11-5-7-13-14-8-6-12(21-18(23)4-2)10-16(14)19(24)15(13)9-11/h5-10H,3-4H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50135104
PNG
(CHEMBL3741981)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C17H16N2O3/c1-11(20)18-15-7-3-5-13(9-15)17(22)14-6-4-8-16(10-14)19-12(2)21/h3-10H,1-2H3,(H,18,20)(H,19,21)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134206
PNG
(CHEMBL3742032)
Show SMILES CC(C)C(=O)Nc1ccc2-c3ccc(NC(=O)C(C)C)cc3C(=O)c2c1
Show InChI InChI=1S/C21H22N2O3/c1-11(2)20(25)22-13-5-7-15-16-8-6-14(23-21(26)12(3)4)10-18(16)19(24)17(15)9-13/h5-12H,1-4H3,(H,22,25)(H,23,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 1


(Rattus norvegicus (Rat))
BDBM50135101
PNG
(CHEMBL3739701)
Show SMILES CS(=O)(=O)Nc1cccc(c1)C(=O)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C15H16N2O5S2/c1-23(19,20)16-13-7-3-5-11(9-13)15(18)12-6-4-8-14(10-12)17-24(2,21)22/h3-10,16-17H,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of UT-B in rat whole blood after 15 mins by RBC lysis assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134203
PNG
(CHEMBL2442435)
Show SMILES Nc1ccc2-c3ccc(N)cc3C(=O)c2c1
Show InChI InChI=1S/C13H10N2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H,14-15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134207
PNG
(CHEMBL3741384)
Show SMILES CCCC(=O)Nc1ccc2-c3ccc(NC(=O)CCC)cc3C(=O)c2c1
Show InChI InChI=1S/C21H22N2O3/c1-3-5-19(24)22-13-7-9-15-16-10-8-14(23-20(25)6-4-2)12-18(16)21(26)17(15)11-13/h7-12H,3-6H2,1-2H3,(H,22,24)(H,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50134202
PNG
(CHEMBL424175)
Show SMILES [O-][N+](=O)c1ccc2-c3ccc(cc3C(=O)c2c1)[N+]([O-])=O
Show InChI InChI=1S/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 2


(Rattus norvegicus (Rat))
BDBM50135103
PNG
(CHEMBL3741231)
Show SMILES O=C1c2cc(ccc2-c2ccc(cc12)N1CCCS1(=O)=O)N1CCCS1(=O)=O
Show InChI InChI=1S/C19H18N2O5S2/c22-19-17-11-13(20-7-1-9-27(20,23)24)3-5-15(17)16-6-4-14(12-18(16)19)21-8-2-10-28(21,25)26/h3-6,11-12H,1-2,7-10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
Urea transporter 1


(Rattus norvegicus (Rat))
BDBM50135106
PNG
(CHEMBL3739646)
Show SMILES O=C(COCc1ccccc1)Nc1cccc(c1)C(=O)c1cccc(NC(=O)COCc2ccccc2)c1
Show InChI InChI=1S/C31H28N2O5/c34-29(21-37-19-23-9-3-1-4-10-23)32-27-15-7-13-25(17-27)31(36)26-14-8-16-28(18-26)33-30(35)22-38-20-24-11-5-2-6-12-24/h1-18H,19-22H2,(H,32,34)(H,33,35)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of UT-B in rat whole blood after 15 mins by RBC lysis assay


Medchemcomm 6: 1278-1284 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4ZZC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%