Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'esteva-font' and Initial = 'c'   

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
Urea transporter 1 (Homo sapiens (Human))	BDBM50394962 (CHEMBL1394231) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in human erythrocytes assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urea transporter 1 (Mus musculus)	BDBM50394962 (CHEMBL1394231) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urea transporter 1 (Mus musculus)	BDBM50394961 (CHEMBL2165788) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H15F2N5O2S3/c1-20(21,22)12-4-6-14(7-5-12)32(28,29)19-18-24-17(23-11-13-3-2-9-30-13)16-15(8-10-31-16)27(18)26-25-19/h2-10H,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435308 (CHEMBL2391344) Show SMILES Cc1csc(CNc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccc(cc2)C(C)(F)F)c1 Show InChI InChI=1S/C21H17F2N5O2S3/c1-12-9-14(32-11-12)10-24-18-17-16(7-8-31-17)28-19(25-18)20(26-27-28)33(29,30)15-5-3-13(4-6-15)21(2,22)23/h3-9,11H,10H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435309 (CHEMBL2391345) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccsc3)nc12 Show InChI InChI=1S/C20H15F2N5O2S3/c1-20(21,22)13-2-4-14(5-3-13)32(28,29)19-18-24-17(23-10-12-6-8-30-11-12)16-15(7-9-31-16)27(18)26-25-19/h2-9,11H,10H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435310 (CHEMBL2391346) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccco3)nc12 Show InChI InChI=1S/C20H15F2N5O3S2/c1-20(21,22)12-4-6-14(7-5-12)32(28,29)19-18-24-17(23-11-13-3-2-9-30-13)16-15(8-10-31-16)27(18)26-25-19/h2-10H,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435307 (CHEMBL2391349) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCC3CCC3)nc12 Show InChI InChI=1S/C20H19F2N5O2S2/c1-20(21,22)13-5-7-14(8-6-13)31(28,29)19-18-24-17(23-11-12-3-2-4-12)16-15(9-10-30-16)27(18)26-25-19/h5-10,12H,2-4,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>800	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435305 (CHEMBL2391347) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccccc3)nc12 Show InChI InChI=1S/C22H17F2N5O2S2/c1-22(23,24)15-7-9-16(10-8-15)33(30,31)21-20-26-19(25-13-14-5-3-2-4-6-14)18-17(11-12-32-18)29(20)28-27-21/h2-12H,13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>800	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435306 (CHEMBL2391348) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCC3CC3)nc12 Show InChI InChI=1S/C19H17F2N5O2S2/c1-19(20,21)12-4-6-13(7-5-12)30(27,28)18-17-23-16(22-10-11-2-3-11)15-14(8-9-29-15)26(17)25-24-18/h4-9,11H,2-3,10H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>800	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50134204 (CHEMBL3740772) Show SMILES CC(=O)Nc1ccc2-c3ccc(NC(C)=O)cc3C(=O)c2c1 Show InChI InChI=1S/C17H14N2O3/c1-9(20)18-11-3-5-13-14-6-4-12(19-10(2)21)8-16(14)17(22)15(13)7-11/h3-8H,1-2H3,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50135099 (CHEMBL3739636) Show SMILES CS(=O)(=O)Nc1ccc2-c3ccc(NS(C)(=O)=O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H14N2O5S2/c1-23(19,20)16-9-3-5-11-12-6-4-10(17-24(2,21)22)8-14(12)15(18)13(11)7-9/h3-8,16-17H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50135098 (CHEMBL3741585) Show SMILES NC(=O)Nc1ccc2-c3ccc(NC(N)=O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H12N4O3/c16-14(21)18-7-1-3-9-10-4-2-8(19-15(17)22)6-12(10)13(20)11(9)5-7/h1-6H,(H3,16,18,21)(H3,17,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115198 (10‐(4‐bromobenzenesulfonyl)‐N...) Show SMILES Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(\[#7]=S3/[#6]=[#6]-[#6]=[#6]3)nc12 |c:24,26| Show InChI InChI=1S/C17H10BrN5O2S3/c18-11-3-5-12(6-4-11)28(24,25)17-16-19-15(21-27-9-1-2-10-27)14-13(7-8-26-14)23(16)22-20-17/h1-10H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115182 (N‐(4‐ethoxyphenyl)‐8‐metho...) Show SMILES CCOc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N3O3/c1-3-30-18-12-10-17(11-13-18)25-20-16-21(24(28)27-14-5-4-6-15-27)26-23-19(20)8-7-9-22(23)29-2/h7-13,16H,3-6,14-15H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115184 (8‐methoxy‐N‐(4‐methoxyphen...) Show SMILES COc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCSCC2)cc1 Show InChI InChI=1S/C22H23N3O3S/c1-27-16-8-6-15(7-9-16)23-18-14-19(22(26)25-10-12-29-13-11-25)24-21-17(18)4-3-5-20(21)28-2/h3-9,14H,10-13H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115190 (2‐(2‐{[(5E)‐2‐imino‐...) Show SMILES CC(=O)OCCOc1ccccc1\C=C1\SC(=N)NC1=O Show InChI InChI=1S/C14H14N2O4S/c1-9(17)19-6-7-20-11-5-3-2-4-10(11)8-12-13(18)16-14(15)21-12/h2-5,8H,6-7H2,1H3,(H2,15,16,18)/b12-8+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115185 (8‐methoxy‐N‐[3‐(methylsulf...) Show SMILES COc1cccc2c(Nc3cccc(SC)c3)cc(nc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H25N3O2S/c1-28-21-11-7-10-18-19(24-16-8-6-9-17(14-16)29-2)15-20(25-22(18)21)23(27)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50322180 (3-(2,5-dimethylphenylsulfonyl)-N-isopropylthieno[2...) Show SMILES CC(C)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C Show InChI InChI=1S/C18H19N5O2S2/c1-10(2)19-16-15-13(7-8-26-15)23-17(20-16)18(21-22-23)27(24,25)14-9-11(3)5-6-12(14)4/h5-10H,1-4H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115194 (4‐(4,5‐dihydro‐1,3‐thiazol...) Show SMILES COc1ccc(Cc2nc(Nc3ccc(OC)c(OC)c3)nc(SC3=NCCS3)n2)cc1OC |t:25| Show InChI InChI=1S/C23H25N5O4S2/c1-29-16-7-5-14(11-18(16)31-3)12-20-26-21(28-22(27-20)34-23-24-9-10-33-23)25-15-6-8-17(30-2)19(13-15)32-4/h5-8,11,13H,9-10,12H2,1-4H3,(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115191 ((5E)‐5‐[(2‐hydroxy‐3‐...) Show SMILES COc1cccc(\C=C2\SC(=N)NC2=O)c1O Show InChI InChI=1S/C11H10N2O3S/c1-16-7-4-2-3-6(9(7)14)5-8-10(15)13-11(12)17-8/h2-5,14H,1H3,(H2,12,13,15)/b8-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115190 (2‐(2‐{[(5E)‐2‐imino‐...) Show SMILES CC(=O)OCCOc1ccccc1\C=C1\SC(=N)NC1=O Show InChI InChI=1S/C14H14N2O4S/c1-9(17)19-6-7-20-11-5-3-2-4-10(11)8-12-13(18)16-14(15)21-12/h2-5,8H,6-7H2,1H3,(H2,15,16,18)/b12-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115183 (8‐hydroxy‐N‐[(3‐methoxyphe...) Show SMILES COc1cccc(CNC(=O)c2ccc3cccc(O)c3n2)c1 Show InChI InChI=1S/C18H16N2O3/c1-23-14-6-2-4-12(10-14)11-19-18(22)15-9-8-13-5-3-7-16(21)17(13)20-15/h2-10,21H,11H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115193 ((5E)‐5‐[(4‐hydroxy‐3‐...) Show SMILES COc1cc(\C=C2\SC(=N)NC2=O)ccc1O Show InChI InChI=1S/C11H10N2O3S/c1-16-8-4-6(2-3-7(8)14)5-9-10(15)13-11(12)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115184 (8‐methoxy‐N‐(4‐methoxyphen...) Show SMILES COc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCSCC2)cc1 Show InChI InChI=1S/C22H23N3O3S/c1-27-16-8-6-15(7-9-16)23-18-14-19(22(26)25-10-12-29-13-11-25)24-21-17(18)4-3-5-20(21)28-2/h3-9,14H,10-13H2,1-2H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115191 ((5E)‐5‐[(2‐hydroxy‐3‐...) Show SMILES COc1cccc(\C=C2\SC(=N)NC2=O)c1O Show InChI InChI=1S/C11H10N2O3S/c1-16-7-4-2-3-6(9(7)14)5-8-10(15)13-11(12)17-8/h2-5,14H,1H3,(H2,12,13,15)/b8-5+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115192 ((5E)‐5‐[(2,3‐dimethoxyphenyl)met...) Show SMILES COc1cccc(\C=C2\SC(=N)NC2=O)c1OC Show InChI InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50134208 (CHEMBL3742039) Show SMILES FC(F)(F)C(=O)Nc1ccc2-c3ccc(NC(=O)C(F)(F)F)cc3C(=O)c2c1 Show InChI InChI=1S/C17H8F6N2O3/c18-16(19,20)14(27)24-7-1-3-9-10-4-2-8(25-15(28)17(21,22)23)6-12(10)13(26)11(9)5-7/h1-6H,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM50322180 (3-(2,5-dimethylphenylsulfonyl)-N-isopropylthieno[2...) Show SMILES CC(C)Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C Show InChI InChI=1S/C18H19N5O2S2/c1-10(2)19-16-15-13(7-8-26-15)23-17(20-16)18(21-22-23)27(24,25)14-9-11(3)5-6-12(14)4/h5-10H,1-4H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50134205 (CHEMBL3741102) Show SMILES CCC(=O)Nc1ccc2-c3ccc(NC(=O)CC)cc3C(=O)c2c1 Show InChI InChI=1S/C19H18N2O3/c1-3-17(22)20-11-5-7-13-14-8-6-12(21-18(23)4-2)10-16(14)19(24)15(13)9-11/h5-10H,3-4H2,1-2H3,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115182 (N‐(4‐ethoxyphenyl)‐8‐metho...) Show SMILES CCOc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C24H27N3O3/c1-3-30-18-12-10-17(11-13-18)25-20-16-21(24(28)27-14-5-4-6-15-27)26-23-19(20)8-7-9-22(23)29-2/h7-13,16H,3-6,14-15H2,1-2H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50135104 (CHEMBL3741981) Show SMILES CC(=O)Nc1cccc(c1)C(=O)c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C17H16N2O3/c1-11(20)18-15-7-3-5-13(9-15)17(22)14-6-4-8-16(10-14)19-12(2)21/h3-10H,1-2H3,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM50134206 (CHEMBL3742032) Show SMILES CC(C)C(=O)Nc1ccc2-c3ccc(NC(=O)C(C)C)cc3C(=O)c2c1 Show InChI InChI=1S/C21H22N2O3/c1-11(2)20(25)22-13-5-7-15-16-8-6-14(23-21(26)12(3)4)10-18(16)19(24)17(15)9-13/h5-12H,1-4H3,(H,22,25)(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115187 (N‐(3‐chloro‐4‐methoxypheny...) Show SMILES COc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCSCC2)cc1Cl Show InChI InChI=1S/C22H22ClN3O3S/c1-28-19-7-6-14(12-16(19)23)24-17-13-18(22(27)26-8-10-30-11-9-26)25-21-15(17)4-3-5-20(21)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115185 (8‐methoxy‐N‐[3‐(methylsulf...) Show SMILES COc1cccc2c(Nc3cccc(SC)c3)cc(nc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H25N3O2S/c1-28-21-11-7-10-18-19(24-16-8-6-9-17(14-16)29-2)15-20(25-22(18)21)23(27)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115186 (N‐(4‐ethoxyphenyl)‐8‐metho...) Show SMILES CCOc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCSCC2)cc1 Show InChI InChI=1S/C23H25N3O3S/c1-3-29-17-9-7-16(8-10-17)24-19-15-20(23(27)26-11-13-30-14-12-26)25-22-18(19)5-4-6-21(22)28-2/h4-10,15H,3,11-14H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115188 (N‐(3‐chloro‐4‐methylphenyl...) Show SMILES COc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(nc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H24ClN3O2/c1-15-9-10-16(13-18(15)24)25-19-14-20(23(28)27-11-4-3-5-12-27)26-22-17(19)7-6-8-21(22)29-2/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115193 ((5E)‐5‐[(4‐hydroxy‐3‐...) Show SMILES COc1cc(\C=C2\SC(=N)NC2=O)ccc1O Show InChI InChI=1S/C11H10N2O3S/c1-16-8-4-6(2-3-7(8)14)5-9-10(15)13-11(12)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115189 (N‐(3‐fluoro‐4‐methylphenyl...) Show SMILES COc1cccc2c(Nc3ccc(C)c(F)c3)cc(nc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H24FN3O2/c1-15-9-10-16(13-18(15)24)25-19-14-20(23(28)27-11-4-3-5-12-27)26-22-17(19)7-6-8-21(22)29-2/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115187 (N‐(3‐chloro‐4‐methoxypheny...) Show SMILES COc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCSCC2)cc1Cl Show InChI InChI=1S/C22H22ClN3O3S/c1-28-19-7-6-14(12-16(19)23)24-17-13-18(22(27)26-8-10-30-11-9-26)25-21-15(17)4-3-5-20(21)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM50322183 (3-(4-ethylphenylsulfonyl)-N-(3-methoxypropyl)thien...) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCCCOC)nc12 Show InChI InChI=1S/C19H21N5O3S2/c1-3-13-5-7-14(8-6-13)29(25,26)19-18-21-17(20-10-4-11-27-2)16-15(9-12-28-16)24(18)23-22-19/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM50135101 (CHEMBL3739701) Show SMILES CS(=O)(=O)Nc1cccc(c1)C(=O)c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C15H16N2O5S2/c1-23(19,20)16-13-7-3-5-11(9-13)15(18)12-6-4-8-14(10-12)17-24(2,21)22/h3-10,16-17H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of UT-B in rat whole blood after 15 mins by RBC lysis assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115186 (N‐(4‐ethoxyphenyl)‐8‐metho...) Show SMILES CCOc1ccc(Nc2cc(nc3c(OC)cccc23)C(=O)N2CCSCC2)cc1 Show InChI InChI=1S/C23H25N3O3S/c1-3-29-17-9-7-16(8-10-17)24-19-15-20(23(27)26-11-13-30-14-12-26)25-22-18(19)5-4-6-21(22)28-2/h4-10,15H,3,11-14H2,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115197 (10‐(benzenesulfonyl)‐N‐methyl...) Show SMILES CNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N5O2S2/c1-15-12-11-10(7-8-22-11)19-13(16-12)14(17-18-19)23(20,21)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115196 (2‐N‐(3‐methoxyphenyl)‐4...) Show SMILES COc1cccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc3ccc(C)cc3)n2)c1 Show InChI InChI=1S/C24H23N5OS/c1-16-7-11-18(12-8-16)25-22-27-23(26-19-5-4-6-20(15-19)30-3)29-24(28-22)31-21-13-9-17(2)10-14-21/h4-15H,1-3H3,(H2,25,26,27,28,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM115192 ((5E)‐5‐[(2,3‐dimethoxyphenyl)met...) Show SMILES COc1cccc(\C=C2\SC(=N)NC2=O)c1OC Show InChI InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description Erythrocyte suspension (100 µL) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115195 (1‐N‐[bis(methylsulfanyl)‐1,3,5&#...) Show SMILES CSc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(SC)n1 Show InChI InChI=1S/C17H17N5S2/c1-23-16-20-15(21-17(22-16)24-2)19-14-10-8-13(9-11-14)18-12-6-4-3-5-7-12/h3-11,18H,1-2H3,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115198 (10‐(4‐bromobenzenesulfonyl)‐N...) Show SMILES Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(\[#7]=S3/[#6]=[#6]-[#6]=[#6]3)nc12 |c:24,26| Show InChI InChI=1S/C17H10BrN5O2S3/c18-11-3-5-12(6-4-11)28(24,25)17-16-19-15(21-27-9-1-2-10-27)14-13(7-8-26-14)23(16)22-20-17/h1-10H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 1 (Rattus norvegicus (Rat))	BDBM50135106 (CHEMBL3739646) Show SMILES O=C(COCc1ccccc1)Nc1cccc(c1)C(=O)c1cccc(NC(=O)COCc2ccccc2)c1 Show InChI InChI=1S/C31H28N2O5/c34-29(21-37-19-23-9-3-1-4-10-23)32-27-15-7-13-25(17-27)31(36)26-14-8-16-28(18-26)33-30(35)22-38-20-24-11-5-2-6-12-24/h1-18H,19-22H2,(H,32,34)(H,33,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of UT-B in rat whole blood after 15 mins by RBC lysis assay				Medchemcomm 6: 1278-1284 (2015) BindingDB Entry DOI: 10.7270/Q2QR4ZZC
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115197 (10‐(benzenesulfonyl)‐N‐methyl...) Show SMILES CNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N5O2S2/c1-15-12-11-10(7-8-22-11)19-13(16-12)14(17-18-19)23(20,21)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair
Urea transporter 2 (Rattus norvegicus (Rat))	BDBM115196 (2‐N‐(3‐methoxyphenyl)‐4...) Show SMILES COc1cccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc3ccc(C)cc3)n2)c1 Show InChI InChI=1S/C24H23N5OS/c1-16-7-11-18(12-8-16)25-22-27-23(26-19-5-4-6-20(15-19)30-3)29-24(28-22)31-21-13-9-17(2)10-14-21/h4-15H,1-3H3,(H2,25,26,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco, San Francisco, CA 94143-0521, USA					Assay Description The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 µM) using different of ur...				Chem Biol 20: 1235-44 (2013) Article DOI: 10.1016/j.chembiol.2013.08.005 BindingDB Entry DOI: 10.7270/Q22F7M35
					More data for this Ligand-Target Pair

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