Compile Data Set for Download or QSAR

Found 16 hits of ki for UniProtKB: Q9NSA0   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Solute carrier family 22 member 11 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	200	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	1.14E+3	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	1.74E+3	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50049707 ((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 |r,c:23| 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	2.38E+3	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	2.80E+3	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50350473 (Aliporina | CEFALORIDINE) Show SMILES [O-]C(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12 |r,c:3| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	3.63E+3	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50335523 ((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 |r,c:16| 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	6.15E+3	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 OAT4-expressing S2 cells				Eur J Pharmacol 438: 137-42 (2002) BindingDB Entry DOI: 10.7270/Q2N87C2C
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50003019 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| 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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells				J Pharmacol Exp Ther 301: 797-802 (2002) BindingDB Entry DOI: 10.7270/Q2V989BQ
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50206509 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	4.44E+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 Ochratoxin A uptake in OAT4-expressing S2 cells				Biochim Biophys Acta 1590: 64-75 (2002) BindingDB Entry DOI: 10.7270/Q2DZ09JW
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50206509 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	5.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells				J Pharmacol Exp Ther 301: 797-802 (2002) BindingDB Entry DOI: 10.7270/Q2V989BQ
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM85245 (CAS_36322-90-4 | NSC_4856 | Piroxicam) Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12| 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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.08E+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 Ochratoxin A uptake in OAT4-expressing S2 cells				Biochim Biophys Acta 1590: 64-75 (2002) BindingDB Entry DOI: 10.7270/Q2DZ09JW
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50420185 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT4-S2 cells				Eur J Pharmacol 466: 13-20 (2003) BindingDB Entry DOI: 10.7270/Q23R0V48
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50420185 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-OAT4				Eur J Pharmacol 466: 13-20 (2003) BindingDB Entry DOI: 10.7270/Q23R0V48
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM23432 (octanoate | octanoate, 1 | octanoic acid | octanoi...) Show SMILES CCCCCCCC([O-])=O Show InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	2.36E+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 Ochratoxin A uptake in OAT4-expressing S2 cells				Biochim Biophys Acta 1590: 64-75 (2002) BindingDB Entry DOI: 10.7270/Q2DZ09JW
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50344961 (CHEMBL510139 | citrinin) Show SMILES C[C@H]1OC=C2C(=O)C(C(O)=O)C(=O)C(C)=C2[C@@H]1C |r,c:14,t:3| Show InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,10H,1-3H3,(H,16,17)/t5-,7-,10?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	3.66E+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 Ochratoxin A uptake in OAT4-expressing S2 cells				Biochim Biophys Acta 1590: 64-75 (2002) BindingDB Entry DOI: 10.7270/Q2DZ09JW
					More data for this Ligand-Target Pair
Solute carrier family 22 member 11 (Homo sapiens (Human))	BDBM50344964 (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells				J Pharmacol Exp Ther 301: 797-802 (2002) BindingDB Entry DOI: 10.7270/Q2V989BQ
					More data for this Ligand-Target Pair