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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50042073   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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30n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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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46n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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180n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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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200n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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210n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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220n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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230n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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740n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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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1.14E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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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1.74E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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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1.89E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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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2.38E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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
2.80E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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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PubMed
3.13E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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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PubMed
3.63E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
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
6.14E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens (Human))
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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PubMed
6.15E+3n/an/an/an/an/an/an/an/a



Kyorin University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Homo sapiens (Human))
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



Kyorin University

Curated by ChEMBL


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


Eur J Pharmacol 438: 137-42 (2002)


Article DOI: 10.1016/s0014-2999(02)01306-7
BindingDB Entry DOI: 10.7270/Q2N87C2C
More data for this
Ligand-Target Pair