Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'vanwert' and Initial = 'al'   

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 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	8.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of human OAT3 using estrone-3-sulfate as substrate				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake in HEK293 cells expressing human serotonin transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	433	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	788	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50165211 ((2R,2'R)-Phenyl-piperidin-2-yl-acetic acid ethyl e...) Show SMILES CCOC(=O)C(C1CCCCN1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake in HEK293 cells expressing human serotonin transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50350476 (BRL-1702 | DICLOXACILLIN) Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl |r,wU:15.21,wD:10.17,9.9,(11.49,-12.78,;10.14,-12.05,;8.75,-12.71,;7.65,-11.59,;8.43,-10.25,;9.94,-10.53,;11.05,-9.46,;10.68,-7.96,;12.52,-9.89,;13.63,-8.83,;15.18,-8.87,;16.63,-9.38,;17.56,-8.15,;18.74,-7.15,;18.67,-9.2,;16.69,-6.88,;15.22,-7.32,;13.68,-7.3,;12.61,-6.19,;17.19,-5.43,;16.19,-4.27,;18.7,-5.15,;7.78,-8.84,;8.55,-7.5,;10.1,-7.49,;7.77,-6.17,;6.22,-6.18,;5.47,-7.52,;6.25,-8.85,;5.48,-10.2,)| Show InChI InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50103525 (CHEBI:7447 | Nafcillin | Nallpen | Unipen) Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(O)=O Show InChI InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50350483 (Bactocill | OXACILLIN) Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50103524 (Ceftiofur) Show SMILES [H][C@]12SCC(CSC(=O)c3ccco3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O |c:14| Show InChI InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50370584 (Beepen-VK | Betapen-VK | PENICILLIN V | Penapar-VK...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50335563 ((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...) Show SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |r,c:21| Show InChI InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50022787 ((+)-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 |r| 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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50350471 (CEFMETAZOLE) Show SMILES CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |r,c:23| Show InChI InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50103523 (CHEBI:6827 | Methicillin | Meticillin | Staphcilli...) Show SMILES [H][C@@]1(NC(=O)c2c(OC)cccc2OC)C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H] Show InChI InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM42131 (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 |c:10| 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of human OAT3 using estrone-3-sulfate as substrate				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Mus musculus)	BDBM50103522 (BRL-2288 | CHEBI:9587 | Tarcil | Ticar | Ticarcill...) Show SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)c1ccsc1)C(O)=O Show InChI InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.78E+6	n/a	n/a	n/a	n/a	n/a	n/a
Wilkes University Curated by ChEMBL					Assay Description Inhibition of rat OAT3 using estrone-3-sulfate as substrate				Drug Metab Dispos 41: 791-800 (2013) Article DOI: 10.1124/dmd.112.049569 BindingDB Entry DOI: 10.7270/Q2TF003W
					More data for this Ligand-Target Pair