Found 18 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM82898
((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 |t:5| 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 | Reactome pathway
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| 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50390999
(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 |c:26| 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 | PDB
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| 4.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM82898
((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 |t:5| 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 | PDB
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| 5.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50370587
(CEFAZOLIN)Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |r,t:7| 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 | PDB
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| 5.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50390999
(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 |c:26| 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 | Reactome pathway
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| 6.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50370587
(CEFAZOLIN)Show SMILES Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1 |r,t:7| 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 | Reactome pathway
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| 7.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50103624
(40602 | CHEBI:3537 | Cefaloridine | Cephaloridine ...)Show SMILES [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12| 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-/m1/s1 | Reactome pathway
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| 1.14E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50103624
(40602 | CHEBI:3537 | Cefaloridine | Cephaloridine ...)Show SMILES [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |r,c:12| 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-/m1/s1 | PDB
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| 1.32E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50350468
(CEFAMANDOLE)Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O |r,t:9| 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 | Reactome pathway
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| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50350468
(CEFAMANDOLE)Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O |r,t:9| 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 | PDB
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| n/a | n/a | 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50139896
((6R,7R)-7-((R)-2-Amino-2-phenyl-acetylamino)-3-met...)Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |r,t:1| Show InChI InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 | Reactome pathway
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| n/a | n/a | 6.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50482777
(CHEBI:204928 | Cefotaxime)Show SMILES [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O |c:9| 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 | Reactome pathway
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| n/a | n/a | 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50103601
(CHEBI:29007 | Ceftriaxone)Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| 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 | PDB
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| n/a | n/a | 8.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50350467
(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 |r,t:1| 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 | Reactome pathway
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| n/a | n/a | 1.78E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50350467
(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 |r,t:1| 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 | PDB
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| n/a | n/a | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50139896
((6R,7R)-7-((R)-2-Amino-2-phenyl-acetylamino)-3-met...)Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O |r,t:1| Show InChI InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 | PDB
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| n/a | n/a | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 8
(Rattus norvegicus) | BDBM50103601
(CHEBI:29007 | Ceftriaxone)Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| 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 | Reactome pathway
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| Article
PubMed
| n/a | n/a | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
Solute carrier family 22 member 6
(Rattus norvegicus) | BDBM50482777
(CHEBI:204928 | Cefotaxime)Show SMILES [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O |c:9| 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 | PDB
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PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin University School of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells |
Life Sci 70: 1861-74 (2002)
Article DOI: 10.1016/s0024-3205(02)01500-x
BindingDB Entry DOI: 10.7270/Q2SN0CV2 |
More data for this
Ligand-Target Pair | |
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