Compile Data Set for Download or QSAR

Found 522 hits with Last Name = 'arndt' and Initial = 'p'   

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 2 (RAT)	BDBM50416487 (CHEMBL1236196 | TETRABUTYLAMMONIUM) Show SMILES CCCC[N+](CCCC)(CCCC)CCCC Show InChI InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (electrogenicity) in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (RAT)	BDBM50367247 (QUININE | Quinamm | Quinsan | cid_3034034) Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes				Am J Physiol Renal Physiol 281: 454-68 (2001) Article DOI: 10.1152/ajprenal.2001.281.3.F454 BindingDB Entry DOI: 10.7270/Q2BR8TF3
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196843 (CHEMBL3904640) Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(c(Cl)c1Cl)S(N)(=O)=O |r| Show InChI InChI=1S/C20H21Cl4N3O3S/c21-10-6-13-12(14(22)7-10)8-15(27-5-1-2-11(25)9-27)20(13)30-16-3-4-17(31(26,28)29)19(24)18(16)23/h3-4,6-7,11,15,20H,1-2,5,8-9,25H2,(H2,26,28,29)/t11-,15+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196811 (CHEMBL3967635) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)c(Cl)c1 |r| Show InChI InChI=1S/C21H23Cl3N2O3S/c1-30(27,28)14-3-4-20(18(24)11-14)29-21-16-9-13(22)10-17(23)15(16)12-19(21)26-7-2-5-25-6-8-26/h3-4,9-11,19,21,25H,2,5-8,12H2,1H3/t19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196812 (CHEMBL3946835) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@@H](N)C2)cc1 |r| Show InChI InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-6-4-15(5-7-16)28-21-18-9-13(22)10-19(23)17(18)11-20(21)25-8-2-3-14(24)12-25/h4-7,9-10,14,20-21H,2-3,8,11-12,24H2,1H3/t14-,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196805 (CHEMBL3978001) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@H](C2)NCCO)cc1 |r| Show InChI InChI=1S/C23H28Cl2N2O4S/c1-32(29,30)18-6-4-17(5-7-18)31-23-20-11-15(24)12-21(25)19(20)13-22(23)27-9-2-3-16(14-27)26-8-10-28/h4-7,11-12,16,22-23,26,28H,2-3,8-10,13-14H2,1H3/t16-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196829 (CHEMBL3914729) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)cc1 |r| Show InChI InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-5-3-15(4-6-16)28-21-18-11-14(22)12-19(23)17(18)13-20(21)25-9-2-7-24-8-10-25/h3-6,11-12,20-21,24H,2,7-10,13H2,1H3/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger isoform 3 (Sus scrofa)	BDBM50196789 (CHEMBL3892788) Show SMILES Cl.Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r| Show InChI InChI=1S/C23H23Cl2FN4O2.ClH/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29;/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3;1H/t16-,21+,23+;/m1./s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of pig NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM50196789 (CHEMBL3892788) Show SMILES Cl.Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r| Show InChI InChI=1S/C23H23Cl2FN4O2.ClH/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29;/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3;1H/t16-,21+,23+;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of rat NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196842 (CHEMBL3943277) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC3(CCNC3)C2)cc1 |r| Show InChI InChI=1S/C23H26Cl2N2O3S/c1-31(28,29)17-4-2-16(3-5-17)30-22-19-10-15(24)11-20(25)18(19)12-21(22)27-9-7-23(14-27)6-8-26-13-23/h2-5,10-11,21-22,26H,6-9,12-14H2,1H3/t21-,22-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196819 (CHEMBL3954374) Show SMILES CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1c(C)nnc1C |r| Show InChI InChI=1S/C25H29Cl2N5O/c1-16-28-29-17(2)32(16)19-5-7-20(8-6-19)33-25-22-13-18(26)14-23(27)21(22)15-24(25)31-10-4-9-30(3)11-12-31/h5-8,13-14,24-25H,4,9-12,15H2,1-3H3/t24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196809 (CHEMBL3916229) Show SMILES C[C@@H]1CN(CCN1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24Cl2N2O3S/c1-13-12-25(8-7-24-13)20-11-17-18(9-14(22)10-19(17)23)21(20)28-15-3-5-16(6-4-15)29(2,26)27/h3-6,9-10,13,20-21,24H,7-8,11-12H2,1-2H3/t13-,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196784 (CHEMBL3895884) Show SMILES CN(C)CCN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H26Cl2N2O3S/c1-24(2)9-10-25(3)20-13-17-18(11-14(22)12-19(17)23)21(20)28-15-5-7-16(8-6-15)29(4,26)27/h5-8,11-12,20-21H,9-10,13H2,1-4H3/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196810 (CHEMBL3893158) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCNCC2)cc1 |r| Show InChI InChI=1S/C20H22Cl2N2O3S/c1-28(25,26)15-4-2-14(3-5-15)27-20-17-10-13(21)11-18(22)16(17)12-19(20)24-8-6-23-7-9-24/h2-5,10-11,19-20,23H,6-9,12H2,1H3/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196800 (CHEMBL3947901) Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C23H24Cl2N4O/c24-15-10-20-19(21(25)11-15)12-22(28-8-1-2-16(26)13-28)23(20)30-18-5-3-17(4-6-18)29-9-7-27-14-29/h3-7,9-11,14,16,22-23H,1-2,8,12-13,26H2/t16-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196795 (CHEMBL3938033) Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCNCC2)cc1 |r| Show InChI InChI=1S/C24H27Cl2N5O/c1-15-28-29-16(2)31(15)18-4-6-19(7-5-18)32-24-21-12-17(25)13-22(26)20(21)14-23(24)30-10-3-8-27-9-11-30/h4-7,12-13,23-24,27H,3,8-11,14H2,1-2H3/t23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196794 (CHEMBL3921160) Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H24Cl2N2O3S/c1-30(27,28)17-4-2-16(3-5-17)29-22-19-6-15(23)7-20(24)18(19)8-21(22)26-11-13-9-25-10-14(13)12-26/h2-7,13-14,21-22,25H,8-12H2,1H3/t13-,14+,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50193124 (CHEMBL318663) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cc2ccccc2)cc1 |t:3,6| Show InChI InChI=1S/C18H21N5/c1-18(2)22-16(19)21-17(20)23(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in pooled human hepatic microsomes using testosterone substrate in presence of NADPH				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196813 (CHEMBL3920102) Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1cncn1 |r| Show InChI InChI=1S/C22H23Cl2N5O/c23-14-8-19-18(20(24)9-14)10-21(28-7-1-2-15(25)11-28)22(19)30-17-5-3-16(4-6-17)29-13-26-12-27-29/h3-6,8-9,12-13,15,21-22H,1-2,7,10-11,25H2/t15-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196804 (CHEMBL3894965) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCN(CCO)CC2)cc1 |r| Show InChI InChI=1S/C23H28Cl2N2O4S/c1-32(29,30)18-5-3-17(4-6-18)31-23-20-13-16(24)14-21(25)19(20)15-22(23)27-8-2-7-26(9-10-27)11-12-28/h3-6,13-14,22-23,28H,2,7-12,15H2,1H3/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196833 (CHEMBL3949677) Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r| Show InChI InChI=1S/C23H23Cl2FN4O2/c1-12-27-28-13(2)30(12)15-3-4-22(20(26)9-15)32-23-18-7-14(24)8-19(25)17(18)10-21(23)29-6-5-16(31)11-29/h3-4,7-9,16,21,23,31H,5-6,10-11H2,1-2H3/t16-,21+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196807 (CHEMBL3916425) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)c(Cl)c23)N2CCCNCC2)cc1 |r| Show InChI InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-6-4-15(5-7-16)28-21-18(25-11-2-9-24-10-12-25)13-14-3-8-17(22)20(23)19(14)21/h3-8,18,21,24H,2,9-13H2,1H3/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196818 (CHEMBL3905100) Show SMILES CN(C)CCCN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H28Cl2N2O3S/c1-25(2)10-5-11-26(3)21-14-18-19(12-15(23)13-20(18)24)22(21)29-16-6-8-17(9-7-16)30(4,27)28/h6-9,12-13,21-22H,5,10-11,14H2,1-4H3/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196791 (CHEMBL3907461) Show SMILES CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@H](C2)NCCF)cc1 |r| Show InChI InChI=1S/C23H27Cl2FN2O3S/c1-32(29,30)18-6-4-17(5-7-18)31-23-20-11-15(24)12-21(25)19(20)13-22(23)28-10-2-3-16(14-28)27-9-8-26/h4-7,11-12,16,22-23,27H,2-3,8-10,13-14H2,1H3/t16-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196803 (CHEMBL3974787) Show SMILES COCCN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H30Cl2N2O4S/c1-31-13-12-27-8-3-9-28(11-10-27)23-16-20-21(14-17(25)15-22(20)26)24(23)32-18-4-6-19(7-5-18)33(2,29)30/h4-7,14-15,23-24H,3,8-13,16H2,1-2H3/t23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140907 (US8912224, 345) Show SMILES Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(s3)C(=O)NCCOP(O)(O)=O)ccc2O1 Show InChI InChI=1S/C22H23N2O7PS/c1-14-4-2-3-5-17(14)19-8-6-15-12-16(7-9-18(15)31-19)30-22-24-13-20(33-22)21(25)23-10-11-29-32(26,27)28/h2-5,7,9,12-13,19H,6,8,10-11H2,1H3,(H,23,25)(H2,26,27,28)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196802 (CHEMBL3920420) Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)c(Cl)c1 |r| Show InChI InChI=1S/C23H25ClN4O/c1-15-25-26-16(2)28(15)18-9-10-22(20(24)14-18)29-23-19-8-4-3-7-17(19)13-21(23)27-11-5-6-12-27/h3-4,7-10,14,21,23H,5-6,11-13H2,1-2H3/t21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196783 (CHEMBL3963951) Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N2CC[C@@H](O)C2)c(Cl)c1 |r| Show InChI InChI=1S/C23H24Cl2N4O2/c1-13-26-27-14(2)29(13)17-5-6-22(20(25)11-17)31-23-19-10-16(24)4-3-15(19)9-21(23)28-8-7-18(30)12-28/h3-6,10-11,18,21,23,30H,7-9,12H2,1-2H3/t18-,21+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140915 (US8912224, 353) Show SMILES O=C(NCc1ccno1)c1csc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)n1 Show InChI InChI=1S/C23H19N3O4S/c27-22(24-13-18-10-11-25-30-18)19-14-31-23(26-19)28-17-7-9-21-16(12-17)6-8-20(29-21)15-4-2-1-3-5-15/h1-5,7,9-12,14,20H,6,8,13H2,(H,24,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196801 (CHEMBL3943573) Show SMILES CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26Cl2N2O3S/c1-25-8-3-9-26(11-10-25)21-14-18-19(12-15(23)13-20(18)24)22(21)29-16-4-6-17(7-5-16)30(2,27)28/h4-7,12-13,21-22H,3,8-11,14H2,1-2H3/t21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196820 (CHEMBL3909954) Show SMILES Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N2CCCC2)c(Cl)c1 |r| Show InChI InChI=1S/C23H24Cl2N4O/c1-14-26-27-15(2)29(14)18-7-8-22(20(25)13-18)30-23-19-12-17(24)6-5-16(19)11-21(23)28-9-3-4-10-28/h5-8,12-13,21,23H,3-4,9-11H2,1-2H3/t21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140778 (US8912224, 210) Show SMILES C(NCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1)c1ccno1 Show InChI InChI=1S/C23H21N3O3S/c1-2-4-16(5-3-1)21-8-6-17-12-18(7-9-22(17)28-21)27-23-25-15-20(30-23)14-24-13-19-10-11-26-29-19/h1-5,7,9-12,15,21,24H,6,8,13-14H2/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140592 (US8912224, 21) Show SMILES Cc1nccc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)n1 Show InChI InChI=1S/C25H22N4O3S/c1-16-26-12-11-19(29-16)14-27-24(30)23-15-28-25(33-23)31-20-8-10-22-18(13-20)7-9-21(32-22)17-5-3-2-4-6-17/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140739 (US8912224, 171) Show SMILES O=C(NCc1ccno1)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C23H19N3O4S/c27-22(24-13-18-10-11-26-30-18)21-14-25-23(31-21)28-17-7-9-20-16(12-17)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9-12,14,19H,6,8,13H2,(H,24,27)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140727 (US8912224, 159) Show SMILES C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1ccno1 Show InChI InChI=1S/C23H21N3O3S/c1-2-4-16(5-3-1)21-8-6-17-12-18(7-9-22(17)28-21)27-23-25-15-20(30-23)14-24-13-19-10-11-26-29-19/h1-5,7,9-12,15,21,24H,6,8,13-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140888 (US8912224, 326) Show SMILES Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(s3)C(=O)NCCO)ccc2O1 Show InChI InChI=1S/C22H22N2O4S/c1-14-4-2-3-5-17(14)19-8-6-15-12-16(7-9-18(15)28-19)27-22-24-13-20(29-22)21(26)23-10-11-25/h2-5,7,9,12-13,19,25H,6,8,10-11H2,1H3,(H,23,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140880 (US8912224, 318) Show SMILES CC(C)CNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C23H24N2O3S/c1-15(2)13-24-22(26)21-14-25-23(29-21)27-18-9-11-20-17(12-18)8-10-19(28-20)16-6-4-3-5-7-16/h3-7,9,11-12,14-15,19H,8,10,13H2,1-2H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140879 (US8912224, 317) Show SMILES CCCCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C23H24N2O3S/c1-2-3-13-24-22(26)21-15-25-23(29-21)27-18-10-12-20-17(14-18)9-11-19(28-20)16-7-5-4-6-8-16/h4-8,10,12,14-15,19H,2-3,9,11,13H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140600 (US8912224, 29) Show SMILES CN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1 Show InChI InChI=1S/C27H26N4O3S/c1-31(2)25-14-18(12-13-28-25)16-29-26(32)24-17-30-27(35-24)33-21-9-11-23-20(15-21)8-10-22(34-23)19-6-4-3-5-7-19/h3-7,9,11-15,17,22H,8,10,16H2,1-2H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140607 (US8912224, 36) Show SMILES O=C(NCc1ccncc1)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C25H21N3O3S/c29-24(27-15-17-10-12-26-13-11-17)23-16-28-25(32-23)30-20-7-9-22-19(14-20)6-8-21(31-22)18-4-2-1-3-5-18/h1-5,7,9-14,16,21H,6,8,15H2,(H,27,29)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140616 (US8912224, 45) Show SMILES Fc1cccc(c1)C1CCc2cc(Oc3ncc(CNC(=O)Cc4cccnc4)s3)ccc2O1 Show InChI InChI=1S/C26H22FN3O3S/c27-20-5-1-4-18(12-20)23-8-6-19-13-21(7-9-24(19)33-23)32-26-30-16-22(34-26)15-29-25(31)11-17-3-2-10-28-14-17/h1-5,7,9-10,12-14,16,23H,6,8,11,15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140618 (US8912224, 47) Show SMILES O=S(=O)(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1cccnc1 Show InChI InChI=1S/C24H21N3O4S2/c28-33(29,21-7-4-12-25-16-21)27-15-20-14-26-24(32-20)30-19-9-11-23-18(13-19)8-10-22(31-23)17-5-2-1-3-6-17/h1-7,9,11-14,16,22,27H,8,10,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140619 (US8912224, 48) Show SMILES O=C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1ccno1 Show InChI InChI=1S/C23H19N3O4S/c27-22(21-10-11-26-30-21)24-13-18-14-25-23(31-18)28-17-7-9-20-16(12-17)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9-12,14,19H,6,8,13H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140620 (US8912224, 49) Show SMILES Fc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccno3)ccc2O1 Show InChI InChI=1S/C23H18FN3O4S/c24-16-3-1-2-14(10-16)19-6-4-15-11-17(5-7-20(15)30-19)29-23-26-13-21(32-23)22(28)25-12-18-8-9-27-31-18/h1-3,5,7-11,13,19H,4,6,12H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140629 (US8912224, 59) Show SMILES Cc1nc(Oc2ccc3OC(CCc3c2)c2ccccc2)sc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C26H23N3O3S/c1-17-24(25(30)28-16-18-11-13-27-14-12-18)33-26(29-17)31-21-8-10-23-20(15-21)7-9-22(32-23)19-5-3-2-4-6-19/h2-6,8,10-15,22H,7,9,16H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140630 (US8912224, 60 | US8912224, 61) Show SMILES O=C(NCc1ccncc1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccsc2)s1 Show InChI InChI=1S/C23H19N3O3S2/c27-22(25-12-15-5-8-24-9-6-15)21-13-26-23(31-21)28-18-2-4-19-16(11-18)1-3-20(29-19)17-7-10-30-14-17/h2,4-11,13-14,20H,1,3,12H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140877 (US8912224, 314) Show SMILES O=C(N1CCOCC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C23H22N2O4S/c26-22(25-10-12-27-13-11-25)21-15-24-23(30-21)28-18-7-9-20-17(14-18)6-8-19(29-20)16-4-2-1-3-5-16/h1-5,7,9,14-15,19H,6,8,10-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140875 (US8912224, 312) Show SMILES OCCN(CCO)C(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C23H24N2O5S/c26-12-10-25(11-13-27)22(28)21-15-24-23(31-21)29-18-7-9-20-17(14-18)6-8-19(30-20)16-4-2-1-3-5-16/h1-5,7,9,14-15,19,26-27H,6,8,10-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair
Sodium/calcium exchanger 1 (Homo sapiens (Human))	BDBM140874 (US8912224, 311) Show SMILES OCCNCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C21H22N2O3S/c24-11-10-22-13-18-14-23-21(27-18)25-17-7-9-20-16(12-17)6-8-19(26-20)15-4-2-1-3-5-15/h1-5,7,9,12,14,19,22,24H,6,8,10-11,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair

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