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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 8' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Solute carrier family 22 member 8


(Homo sapiens)
BDBM82898
PNG
((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O
Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
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40n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50350468
PNG
(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
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PubMed
46n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50335523
PNG
((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...)
Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
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290n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50370587
PNG
(CEFAZOLIN)
Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1
Show InChI InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1
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550n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50390999
PNG
(CEFOPERAZONE)
Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O
Show InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
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PubMed
1.89E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50350473
PNG
(Aliporina | CEFALORIDINE)
Show SMILES [O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12
Show InChI InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18+/m0/s1
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2.46E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50003019
PNG
(8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells


Eur J Pharmacol 419: 113-20 (2001)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50049707
PNG
((6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-methoxy...)
Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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PubMed
4.39E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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PubMed
5.95E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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PubMed
8.62E+3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, Nesbitt College of Pharmacy and Nursing, Wilkes University, Wilkes-Barre, Pennsylvania 18766, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OAT3 using estrone-3-sulfate as substrate


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50350467
PNG
(BL-S578 | CEFADROXIL | Cefadrops)
Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O
Show InChI InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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8.62E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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9.00E+3n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells


Eur J Pharmacol 419: 113-20 (2001)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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PubMed
2.98E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50022309
PNG
(3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...)
Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3
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3.47E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50344964
PNG
(Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...)
Show SMILES OC(=O)CCNC(=O)c1ccccc1
Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
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4.83E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells


Eur J Pharmacol 419: 113-20 (2001)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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5.30E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3 expressing oocytes


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50022787
PNG
((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
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9.76E+4n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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PubMed
1.69E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT3


Eur J Pharmacol 466: 13-20 (2003)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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1.69E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT3-S2 cells


Eur J Pharmacol 466: 13-20 (2003)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50367502
PNG
(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
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PubMed
2.31E+5n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells


Eur J Pharmacol 419: 113-20 (2001)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50325824
PNG
(1H-purine-2,6,8(3H,7H,9H)-trione | 7,9-Dihydro-3H-...)
Show SMILES O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
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2.75E+5n/an/an/an/an/an/an/an/a



Georg-August-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate in Xenopus laevis oocytes


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50036754
PNG
((1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)...)
Show SMILES NC(N)=Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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3.00E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake in OAT3 expressing oocytes


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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1.02E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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1.16E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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1.17E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM85245
PNG
(CAS_36322-90-4 | NSC_4856 | PIROXICAM | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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1.20E+6n/an/an/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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n/an/a 4.93E+3n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells


J Pharmacol Sci 94: 197-202 (2004)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50305842
PNG
(CHEMBL603656 | trans-4-((5-(2-(4-fluorobenzylcarba...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)cc1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1
Show InChI InChI=1S/C23H25FN6O3/c1-14-10-18(11-20(26-14)22(31)25-12-15-4-8-19(24)9-5-15)21-27-29-30(28-21)13-16-2-6-17(7-3-16)23(32)33/h4-5,8-11,16-17H,2-3,6-7,12-13H2,1H3,(H,25,31)(H,32,33)/t16-,17-
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human OAT3 expressed in HEK cells assessed as reduction of [3H]-estrone sulfate uptake by radioactivity counting analysis


J Med Chem 59: 313-27 (2016)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50133599
PNG
((7-Imidazol-1-yl-6-nitro-2,3-dioxo-3,4-dihydro-2H-...)
Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccnc1
Show InChI InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human OAT3


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50344964
PNG
(Betamipron | CHEMBL1231530 | N-(phenylcarbonyl)-be...)
Show SMILES OC(=O)CCNC(=O)c1ccccc1
Show InChI InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
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n/an/a 9.92E+3n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells


J Pharmacol Sci 94: 197-202 (2004)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells


J Pharmacol Sci 94: 197-202 (2004)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50265079
PNG
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1
Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human OAT3 expressed in HEK cells assessed as reduction of [3H]-estrone sulfate uptake by radioactivity counting analysis


J Med Chem 59: 313-27 (2016)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50234348
PNG
(4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d...)
Show SMILES COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1
Show InChI InChI=1S/C24H20N4O5/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human OAT3 expressed in HEK cells assessed as reduction of [3H]-estrone sulfate uptake by radioactivity counting analysis


J Med Chem 59: 313-27 (2016)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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n/an/a 9.24E+4n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells


J Pharmacol Sci 94: 197-202 (2004)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nippon Boehringer Ingelheim Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E-sul substrate uptake by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM42131
PNG
(CEFACLOR | MLS000069617 | SMR000058250 | cid_51039)
Show SMILES N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Department of Pharmaceutical Sciences, Nesbitt College of Pharmacy and Nursing, Wilkes University, Wilkes-Barre, Pennsylvania 18766, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OAT3 using estrone-3-sulfate as substrate


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50367502
PNG
(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
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n/an/a 2.49E+5n/an/an/an/an/an/a



Kyorin University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells


J Pharmacol Sci 94: 197-202 (2004)

More data for this
Ligand-Target Pair