Compile Data Set for Download or QSAR

Found 721 hits with Last Name = 'jacobs' and Initial = 'jw'   

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
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16292 (3-N-[(2S,3S,5R)-3-amino-5-[(4-fluorophenyl)carbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	26	-42.9	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16291 (3-N-[(2S,3S,5R)-3-amino-5-{[(1S)-1-(benzylcarbamoy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C39H53N5O4/c1-6-21-44(22-7-2)39(48)32-20-14-19-31(25-32)37(46)42-34(24-29-15-10-8-11-16-29)33(40)23-28(5)36(45)43-35(27(3)4)38(47)41-26-30-17-12-9-13-18-30/h8-20,25,27-28,33-35H,6-7,21-24,26,40H2,1-5H3,(H,41,47)(H,42,46)(H,43,45)/t28-,33+,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33	-42.3	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16286 (3-N-[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-met...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H54N4O5/c1-8-18-40(19-9-2)36(45)29-17-13-16-28(22-29)34(43)38-30(20-24(3)4)31(41)21-26(7)33(42)39-32(25(5)6)35(44)37-23-27-14-11-10-12-15-27/h10-17,22,24-26,30-32,41H,8-9,18-21,23H2,1-7H3,(H,37,44)(H,38,43)(H,39,42)/t26-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	-40.4	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16287 (3-N-[(1R,3S,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H55N5O4/c1-8-18-41(19-9-2)36(45)29-17-13-16-28(22-29)34(43)39-31(20-24(3)4)30(37)21-26(7)33(42)40-32(25(5)6)35(44)38-23-27-14-11-10-12-15-27/h10-17,22,24-26,30-32H,8-9,18-21,23,37H2,1-7H3,(H,38,44)(H,39,43)(H,40,42)/t26-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16289 (3-N-[(1R,3S,4S)-1-[(4-fluorophenyl)carbamoyl]-3-hy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C30H42FN3O4/c1-6-15-34(16-7-2)30(38)23-10-8-9-22(19-23)29(37)33-26(17-20(3)4)27(35)18-21(5)28(36)32-25-13-11-24(31)12-14-25/h8-14,19-21,26-27,35H,6-7,15-18H2,1-5H3,(H,32,36)(H,33,37)/t21-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	-33.3	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16290 (3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamo...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C30H43FN4O3/c1-6-15-35(16-7-2)30(38)23-10-8-9-22(19-23)29(37)34-27(17-20(3)4)26(32)18-21(5)28(36)33-25-13-11-24(31)12-14-25/h8-14,19-21,26-27H,6-7,15-18,32H2,1-5H3,(H,33,36)(H,34,37)/t21-,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	-31.2	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Beta-secretase 1 [22-454] (Homo sapiens (Human))	BDBM16288 (3-N-[(1R,3R,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H55N5O4/c1-8-18-41(19-9-2)36(45)29-17-13-16-28(22-29)34(43)39-31(20-24(3)4)30(37)21-26(7)33(42)40-32(25(5)6)35(44)38-23-27-14-11-10-12-15-27/h10-17,22,24-26,30-32H,8-9,18-21,23,37H2,1-7H3,(H,38,44)(H,39,43)(H,40,42)/t26-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.13E+4	-28.0	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381823 (CVD-0019453 | US10272079, Compound 002 | US1027207...) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381804 (US10272079, Compound 161) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCC(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)NC(=O)COCC(O)=O)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C83H111Cl6N13O19S3/c1-100-49-69(66-43-60(84)46-75(87)72(66)52-100)57-10-4-13-63(40-57)122(109,110)96-25-31-118-37-34-115-28-22-93-80(106)90-19-7-16-83(99-78(103)55-121-56-79(104)105,17-8-20-91-81(107)94-23-29-116-35-38-119-32-26-97-123(111,112)64-14-5-11-58(41-64)70-50-101(2)53-73-67(70)44-61(85)47-76(73)88)18-9-21-92-82(108)95-24-30-117-36-39-120-33-27-98-124(113,114)65-15-6-12-59(42-65)71-51-102(3)54-74-68(71)45-62(86)48-77(74)89/h4-6,10-15,40-48,69-71,96-98H,7-9,16-39,49-56H2,1-3H3,(H,99,103)(H,104,105)(H2,90,93,106)(H2,91,94,107)(H2,92,95,108)/t69-,70-,71-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381783 (US10272079, Compound 140) Show SMILES Fc1ccc2C[C@@H]([C@@H](Oc3ccc(cc3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(O[C@@H]4[C@H](Cc5ccc(F)cc45)N4CCCCC4)cc3)c2c1)N1CCCCC1 |r| Show InChI InChI=1S/C58H80F2N8O12S2/c59-45-11-9-43-39-53(67-27-5-1-6-28-67)55(51(43)41-45)79-47-13-17-49(18-14-47)81(71,72)65-25-33-77-37-35-75-31-23-63-57(69)61-21-3-4-22-62-58(70)64-24-32-76-36-38-78-34-26-66-82(73,74)50-19-15-48(16-20-50)80-56-52-42-46(60)12-10-44(52)40-54(56)68-29-7-2-8-30-68/h9-20,41-42,53-56,65-66H,1-8,21-40H2,(H2,61,63,69)(H2,62,64,70)/t53-,54-,55-,56-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50601173 (CHEMBL5176968) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381691 (US10272079, Compound 48 | US10272079, Compound 65) Show SMILES OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)CC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C62H86N8O16S2/c71-57(63-23-33-81-37-39-83-35-25-65-87(77,78)51-19-15-49(16-20-51)85-61-53-13-5-3-11-47(53)41-55(61)69-27-7-1-8-28-69)43-67(45-59(73)74)31-32-68(46-60(75)76)44-58(72)64-24-34-82-38-40-84-36-26-66-88(79,80)52-21-17-50(18-22-52)86-62-54-14-6-4-12-48(54)42-56(62)70-29-9-2-10-30-70/h3-6,11-22,55-56,61-62,65-66H,1-2,7-10,23-46H2,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t55-,56-,61-,62-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381826 (US10272079, Compound 003) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H62Cl4N8O10S2/c1-63-31-45(43-27-37(53)29-49(55)47(43)33-63)35-5-3-7-41(25-35)75(67,68)59-15-19-73-23-21-71-17-13-57-51(65)61-39-9-11-40(12-10-39)62-52(66)58-14-18-72-22-24-74-20-16-60-76(69,70)42-8-4-6-36(26-42)46-32-64(2)34-48-44(46)28-38(54)30-50(48)56/h3-12,25-30,45-46,59-60H,13-24,31-34H2,1-2H3,(H2,57,61,65)(H2,58,62,66)/t45-,46-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50601180 (CHEMBL5170002) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381795 (US10272079, Compound 152) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)Nc1ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4c3cc(Cl)cc4Cl)N(C)C)cc2)cc1 |r| Show InChI InChI=1S/C54H66Cl4N8O12S2/c1-65(2)49-33-43-45(29-35(55)31-47(43)57)51(49)77-39-9-13-41(14-10-39)79(69,70)61-19-23-75-27-25-73-21-17-59-53(67)63-37-5-7-38(8-6-37)64-54(68)60-18-22-74-26-28-76-24-20-62-80(71,72)42-15-11-40(12-16-42)78-52-46-30-36(56)32-48(58)44(46)34-50(52)66(3)4/h5-16,29-32,49-52,61-62H,17-28,33-34H2,1-4H3,(H2,59,63,67)(H2,60,64,68)/t49-,50-,51-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381710 (US10272079, Compound 67) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)CC(O)=O)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C58H78Cl4N8O16S2/c1-67-33-49(47-29-43(59)31-53(61)51(47)35-67)41-5-3-7-45(27-41)87(77,78)65-11-17-83-21-25-85-23-19-81-15-9-63-55(71)37-69(39-57(73)74)13-14-70(40-58(75)76)38-56(72)64-10-16-82-20-24-86-26-22-84-18-12-66-88(79,80)46-8-4-6-42(28-46)50-34-68(2)36-52-48(50)30-44(60)32-54(52)62/h3-8,27-32,49-50,65-66H,9-26,33-40H2,1-2H3,(H,63,71)(H,64,72)(H,73,74)(H,75,76)/t49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50601178 (CHEMBL5202545) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381762 (US10272079, Compound 119) Show SMILES CC(C)(C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)C(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C61H86N6O14S2/c1-61(2,59(68)62-25-33-74-37-41-78-43-39-76-35-27-64-82(70,71)51-21-17-49(18-22-51)80-57-53-15-7-5-13-47(53)45-55(57)66-29-9-3-10-30-66)60(69)63-26-34-75-38-42-79-44-40-77-36-28-65-83(72,73)52-23-19-50(20-24-52)81-58-54-16-8-6-14-48(54)46-56(58)67-31-11-4-12-32-67/h5-8,13-24,55-58,64-65H,3-4,9-12,25-46H2,1-2H3,(H,62,68)(H,63,69)/t55-,56-,57-,58-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381826 (US10272079, Compound 003) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H62Cl4N8O10S2/c1-63-31-45(43-27-37(53)29-49(55)47(43)33-63)35-5-3-7-41(25-35)75(67,68)59-15-19-73-23-21-71-17-13-57-51(65)61-39-9-11-40(12-10-39)62-52(66)58-14-18-72-22-24-74-20-16-60-76(69,70)42-8-4-6-36(26-42)46-32-64(2)34-48-44(46)28-38(54)30-50(48)56/h3-12,25-30,45-46,59-60H,13-24,31-34H2,1-2H3,(H2,57,61,65)(H2,58,62,66)/t45-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381742 (US10272079, Compound 99) Show SMILES O=C(NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1 |r| Show InChI InChI=1S/C56H78N8O12S2/c65-55(59-25-33-71-37-39-73-35-27-61-77(67,68)47-19-15-45(16-20-47)75-53-49-13-3-1-11-43(49)41-51(53)63-29-7-8-30-63)57-23-5-6-24-58-56(66)60-26-34-72-38-40-74-36-28-62-78(69,70)48-21-17-46(18-22-48)76-54-50-14-4-2-12-44(50)42-52(54)64-31-9-10-32-64/h1-4,11-22,51-54,61-62H,5-10,23-42H2,(H2,57,59,65)(H2,58,60,66)/t51-,52-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381793 (US10272079, Compound 150) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C50H64Cl4N6O14S2/c1-59(2)43-29-37-39(25-31(51)27-41(37)53)47(43)73-33-5-9-35(10-6-33)75(65,66)57-15-19-71-23-21-69-17-13-55-49(63)45(61)46(62)50(64)56-14-18-70-22-24-72-20-16-58-76(67,68)36-11-7-34(8-12-36)74-48-40-26-32(52)28-42(54)38(40)30-44(48)60(3)4/h5-12,25-28,43-48,57-58,61-62H,13-24,29-30H2,1-4H3,(H,55,63)(H,56,64)/t43-,44-,45+,46+,47-,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381826 (US10272079, Compound 003) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H62Cl4N8O10S2/c1-63-31-45(43-27-37(53)29-49(55)47(43)33-63)35-5-3-7-41(25-35)75(67,68)59-15-19-73-23-21-71-17-13-57-51(65)61-39-9-11-40(12-10-39)62-52(66)58-14-18-72-22-24-74-20-16-60-76(69,70)42-8-4-6-36(26-42)46-32-64(2)34-48-44(46)28-38(54)30-50(48)56/h3-12,25-30,45-46,59-60H,13-24,31-34H2,1-2H3,(H2,57,61,65)(H2,58,62,66)/t45-,46-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381817 (US10272079, Compound 174) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)CCC(C)(N)CCC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C54H73Cl4N7O12S2/c1-54(59,16-14-50(66)60-18-22-72-26-28-74-24-20-62-78(68,69)40-10-6-38(7-11-40)76-52-44-30-36(55)32-46(57)42(44)34-48(52)64(2)3)17-15-51(67)61-19-23-73-27-29-75-25-21-63-79(70,71)41-12-8-39(9-13-41)77-53-45-31-37(56)33-47(58)43(45)35-49(53)65(4)5/h6-13,30-33,48-49,52-53,62-63H,14-29,34-35,59H2,1-5H3,(H,60,66)(H,61,67)/t48-,49-,52-,53-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381667 (US10272079, Compound 24) Show SMILES CCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(cc1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12 Show InChI InChI=1S/C43H66ClN9O10/c1-2-47-39(54)9-17-56-21-25-60-29-31-63-32-30-61-26-22-57-18-10-40(55)48-11-19-58-23-27-62-28-24-59-20-16-52-12-14-53(15-13-52)36-6-3-34(4-7-36)41-37-33-35(44)5-8-38(37)49-43(50-41)51-42(45)46/h3-8,33H,2,9-32H2,1H3,(H,47,54)(H,48,55)(H4,45,46,49,50,51)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381758 (US10272079, Compound 115) Show SMILES CN(C)[C@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N(C)C)cc1 |r| Show InChI InChI=1S/C52H74N8O12S2/c1-59(2)47-37-39-11-5-7-13-45(39)49(47)71-41-15-19-43(20-16-41)73(63,64)57-27-31-69-35-33-67-29-25-55-51(61)53-23-9-10-24-54-52(62)56-26-30-68-34-36-70-32-28-58-74(65,66)44-21-17-42(18-22-44)72-50-46-14-8-6-12-40(46)38-48(50)60(3)4/h5-8,11-22,47-50,57-58H,9-10,23-38H2,1-4H3,(H2,53,55,61)(H2,54,56,62)/t47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381666 (US10272079, Compound 23) Show SMILES COCCOCCOCCC(=O)NCCOCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12 Show InChI InChI=1S/C35H51ClN8O7/c1-46-17-18-50-22-19-47-14-7-32(45)39-8-15-48-20-23-51-24-21-49-16-13-43-9-11-44(12-10-43)29-4-2-3-27(25-29)33-30-26-28(36)5-6-31(30)40-35(41-33)42-34(37)38/h2-6,25-26H,7-24H2,1H3,(H,39,45)(H4,37,38,40,41,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381817 (US10272079, Compound 174) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)CCC(C)(N)CCC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C54H73Cl4N7O12S2/c1-54(59,16-14-50(66)60-18-22-72-26-28-74-24-20-62-78(68,69)40-10-6-38(7-11-40)76-52-44-30-36(55)32-46(57)42(44)34-48(52)64(2)3)17-15-51(67)61-19-23-73-27-29-75-25-21-63-79(70,71)41-12-8-39(9-13-41)77-53-45-31-37(56)33-47(58)43(45)35-49(53)65(4)5/h6-13,30-33,48-49,52-53,62-63H,14-29,34-35,59H2,1-5H3,(H,60,66)(H,61,67)/t48-,49-,52-,53-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381740 (US10272079, Compound 97) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H68Cl2N6O12S2/c1-59-34-46(45-32-40(53)33-48(54)47(45)35-59)38-9-7-10-43(30-38)74(65,66)58-19-25-70-29-27-68-23-17-56-51(62)37-71-36-50(61)55-16-22-67-26-28-69-24-18-57-73(63,64)42-14-12-41(13-15-42)72-52-44-11-4-3-8-39(44)31-49(52)60-20-5-2-6-21-60/h3-4,7-15,30,32-33,46,49,52,57-58H,2,5-6,16-29,31,34-37H2,1H3,(H,55,61)(H,56,62)/t46-,49-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM426615 (N,N′-(10,17-dioxo-3,6,21,24-tetraoxa-9,11,16...) Show SMILES CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 Show InChI InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381778 (US10272079, Compound 135) Show SMILES N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@@H](N)C2)cc1 |r| Show InChI InChI=1S/C58H80Cl4N10O12S2/c59-39-31-49-47(51(61)33-39)35-53(71-21-3-5-41(63)37-71)55(49)83-43-7-11-45(12-8-43)85(75,76)69-19-25-81-29-27-79-23-17-67-57(73)65-15-1-2-16-66-58(74)68-18-24-80-28-30-82-26-20-70-86(77,78)46-13-9-44(10-14-46)84-56-50-32-40(60)34-52(62)48(50)36-54(56)72-22-4-6-42(64)38-72/h7-14,31-34,41-42,53-56,69-70H,1-6,15-30,35-38,63-64H2,(H2,65,67,73)(H2,66,68,74)/t41-,42-,53+,54+,55+,56+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.55	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381823 (CVD-0019453 | US10272079, Compound 002 | US1027207...) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The ability of compounds to inhibit Rat NHE3-mediated Na+-dependent H+ antiport after application and washout was measured using a modification of th...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381809 (US10272079, Compound 166) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2F)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3F)N(C)C)cc1 |r| Show InChI InChI=1S/C52H70Cl2F2N8O12S2/c1-63(2)47-33-41-43(29-35(53)31-45(41)55)49(47)75-37-7-11-39(12-8-37)77(67,68)61-19-23-73-27-25-71-21-17-59-51(65)57-15-5-6-16-58-52(66)60-18-22-72-26-28-74-24-20-62-78(69,70)40-13-9-38(10-14-40)76-50-44-30-36(54)32-46(56)42(44)34-48(50)64(3)4/h7-14,29-32,47-50,61-62H,5-6,15-28,33-34H2,1-4H3,(H2,57,59,65)(H2,58,60,66)/t47-,48-,49-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381791 (US10272079, Compound 148) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C50H64Cl4N6O12S2/c1-59(2)45-31-39-41(27-33(51)29-43(39)53)49(45)71-35-5-9-37(10-6-35)73(63,64)57-17-21-69-25-23-67-19-15-55-47(61)13-14-48(62)56-16-20-68-24-26-70-22-18-58-74(65,66)38-11-7-36(8-12-38)72-50-42-28-34(52)30-44(54)40(42)32-46(50)60(3)4/h5-12,27-30,45-46,49-50,57-58H,13-26,31-32H2,1-4H3,(H,55,61)(H,56,62)/t45-,46-,49-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381675 (US10272079, Compound 32) Show SMILES COCCOCCOCCOCCC(=O)NCCOCCOCCOCCN1CCN(CC1)c1cccc(c1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12 Show InChI InChI=1S/C37H55ClN8O8/c1-48-17-18-52-25-26-53-22-19-49-14-7-34(47)41-8-15-50-20-23-54-24-21-51-16-13-45-9-11-46(12-10-45)31-4-2-3-29(27-31)35-32-28-30(38)5-6-33(32)42-37(43-35)44-36(39)40/h2-6,27-28H,7-26H2,1H3,(H,41,47)(H4,39,40,42,43,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381673 (US10272079, Compound 30) Show SMILES [#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c1ccc(-[#8]-c2c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc2F)cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c1ccc(-[#8]-c2c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc2F)cc1 Show InChI InChI=1S/C58H78F4N12O16S2/c1-39(53(75)71-55(63)64)33-41-35-47(59)51(48(60)36-41)89-43-7-11-45(12-8-43)91(79,80)69-17-23-85-27-31-87-29-25-83-21-15-67-57(77)73(3)19-5-6-20-74(4)58(78)68-16-22-84-26-30-88-32-28-86-24-18-70-92(81,82)46-13-9-44(10-14-46)90-52-49(61)37-42(38-50(52)62)34-40(2)54(76)72-56(65)66/h7-14,33-38,69-70H,5-6,15-32H2,1-4H3,(H,67,77)(H,68,78)(H4,63,64,71,75)(H4,65,66,72,76)/b39-33+,40-34+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381670 (US10272079, Compound 27) Show SMILES [#6]\[#6](=[#6]/c1cc(F)c(-[#8]-c2ccc(cc2)S(=O)(=O)[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]S(=O)(=O)c2ccc(-[#8]-c3c(F)cc(\[#6]=[#6](/[#6])-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc3F)cc2)-[#6]-[#6](-[#8])=O)c(F)c1)-[#6](=O)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C60H78F4N12O20S2/c1-39(57(83)73-59(65)66)29-41-31-47(61)55(48(62)32-41)95-43-3-7-45(8-4-43)97(85,86)71-13-19-91-23-27-93-25-21-89-17-11-69-51(77)35-75(37-53(79)80)15-16-76(38-54(81)82)36-52(78)70-12-18-90-22-26-94-28-24-92-20-14-72-98(87,88)46-9-5-44(6-10-46)96-56-49(63)33-42(34-50(56)64)30-40(2)58(84)74-60(67)68/h3-10,29-34,71-72H,11-28,35-38H2,1-2H3,(H,69,77)(H,70,78)(H,79,80)(H,81,82)(H4,65,66,73,83)(H4,67,68,74,84)/b39-29+,40-30+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381741 (US10272079, Compound 98) Show SMILES O[C@H]([C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C56H76N6O14S2/c63-51(55(65)57-23-31-71-35-37-73-33-25-59-77(67,68)45-19-15-43(16-20-45)75-53-47-13-5-3-11-41(47)39-49(53)61-27-7-1-8-28-61)52(64)56(66)58-24-32-72-36-38-74-34-26-60-78(69,70)46-21-17-44(18-22-46)76-54-48-14-6-4-12-42(48)40-50(54)62-29-9-2-10-30-62/h3-6,11-22,49-54,59-60,63-64H,1-2,7-10,23-40H2,(H,57,65)(H,58,66)/t49-,50-,51+,52+,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381751 (US10272079, Compound 108) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCN(CCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)C(=O)NCCOCCOCCN)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C57H81Cl4N11O13S2/c1-70-37-49(47-33-43(58)35-53(60)51(47)39-70)41-5-3-7-45(31-41)86(76,77)68-15-23-84-29-27-81-20-12-65-55(73)63-10-17-72(57(75)67-14-22-83-26-25-80-19-9-62)18-11-64-56(74)66-13-21-82-28-30-85-24-16-69-87(78,79)46-8-4-6-42(32-46)50-38-71(2)40-52-48(50)34-44(59)36-54(52)61/h3-8,31-36,49-50,68-69H,9-30,37-40,62H2,1-2H3,(H,67,75)(H2,63,65,73)(H2,64,66,74)/t49-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Aurora kinase A (Mus musculus (mouse))	BDBM26333 (1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)ph...) Show SMILES FC(F)(F)c1cc(CN2CCCC2)cc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1 Show InChI InChI=1S/C24H24F3N7OS2/c25-24(26,27)16-9-15(13-34-6-1-2-7-34)10-17(11-16)32-22(35)33-23-29-12-18(37-23)3-5-28-21-20-19(4-8-36-20)30-14-31-21/h4,8-12,14H,1-3,5-7,13H2,(H,28,30,31)(H2,29,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50601172 (CHEMBL5183104) Show SMILES CN1CC(c2ccc(cc2)S(=O)(=O)NCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCNS(=O)(=O)c2ccc(cc2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00037 BindingDB Entry DOI: 10.7270/Q2DB85X0
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381810 (US10272079, Compound 167) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCC(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)(CCCNC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)NC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C86H120Cl6N14O21S3/c1-104-50-69(66-43-60(87)46-75(90)72(66)53-104)57-10-4-13-63(40-57)128(116,117)100-25-31-125-37-34-122-28-22-96-82(112)93-19-7-16-86(103-85(115)99-49-78(108)80(110)81(111)79(109)56-107,17-8-20-94-83(113)97-23-29-123-35-38-126-32-26-101-129(118,119)64-14-5-11-58(41-64)70-51-105(2)54-73-67(70)44-61(88)47-76(73)91)18-9-21-95-84(114)98-24-30-124-36-39-127-33-27-102-130(120,121)65-15-6-12-59(42-65)71-52-106(3)55-74-68(71)45-62(89)48-77(74)92/h4-6,10-15,40-48,69-71,78-81,100-102,107-111H,7-9,16-39,49-56H2,1-3H3,(H2,93,96,112)(H2,94,97,113)(H2,95,98,114)(H2,99,103,115)/t69-,70-,71-,78-,79+,80+,81+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.27	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381690 (US10272079, Compound 47 | US10272079, Compound 66) Show SMILES O=C(NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C58H82N8O12S2/c67-57(61-27-35-73-39-41-75-37-29-63-79(69,70)49-21-17-47(18-22-49)77-55-51-15-5-3-13-45(51)43-53(55)65-31-9-1-10-32-65)59-25-7-8-26-60-58(68)62-28-36-74-40-42-76-38-30-64-80(71,72)50-23-19-48(20-24-50)78-56-52-16-6-4-14-46(52)44-54(56)66-33-11-2-12-34-66/h3-6,13-24,53-56,63-64H,1-2,7-12,25-44H2,(H2,59,61,67)(H2,60,62,68)/t53-,54-,55-,56-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381789 (US10272079, Compound 146) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)N(CCO)CCOCCOCCNC(=O)NCCCN(CCCNC(=O)NCCOCCOCCN(CCO)S(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)CCCNC(=O)NCCOCCOCCN(CCO)S(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C84H117Cl6N13O18S3/c1-97-55-73(70-49-64(85)52-79(88)76(70)58-97)61-10-4-13-67(46-61)122(110,111)101(25-31-104)28-37-119-43-40-116-34-19-94-82(107)91-16-7-22-100(23-8-17-92-83(108)95-20-35-117-41-44-120-38-29-102(26-32-105)123(112,113)68-14-5-11-62(47-68)74-56-98(2)59-77-71(74)50-65(86)53-80(77)89)24-9-18-93-84(109)96-21-36-118-42-45-121-39-30-103(27-33-106)124(114,115)69-15-6-12-63(48-69)75-57-99(3)60-78-72(75)51-66(87)54-81(78)90/h4-6,10-15,46-54,73-75,104-106H,7-9,16-45,55-60H2,1-3H3,(H2,91,94,107)(H2,92,95,108)(H2,93,96,109)/t73-,74-,75-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381648 (US10272079, Compound 6) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@@H](O)[C@H](O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H68Cl4N6O14S2/c1-61-31-43(41-27-37(53)29-47(55)45(41)33-61)35-5-3-7-39(25-35)77(67,68)59-11-15-73-19-23-75-21-17-71-13-9-57-51(65)49(63)50(64)52(66)58-10-14-72-18-22-76-24-20-74-16-12-60-78(69,70)40-8-4-6-36(26-40)44-32-62(2)34-46-42(44)28-38(54)30-48(46)56/h3-8,25-30,43-44,49-50,59-60,63-64H,9-24,31-34H2,1-2H3,(H,57,65)(H,58,66)/t43-,44-,49-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381690 (US10272079, Compound 47 | US10272079, Compound 66) Show SMILES O=C(NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C58H82N8O12S2/c67-57(61-27-35-73-39-41-75-37-29-63-79(69,70)49-21-17-47(18-22-49)77-55-51-15-5-3-13-45(51)43-53(55)65-31-9-1-10-32-65)59-25-7-8-26-60-58(68)62-28-36-74-40-42-76-38-30-64-80(71,72)50-23-19-48(20-24-50)78-56-52-16-6-4-14-46(52)44-54(56)66-33-11-2-12-34-66/h3-6,13-24,53-56,63-64H,1-2,7-12,25-44H2,(H2,59,61,67)(H2,60,62,68)/t53-,54-,55-,56-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50310621 (CHEMBL1079538 | N-(4-(6-(trifluoromethyl)-3H-imida...) Show SMILES FC(F)(F)c1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1 Show InChI InChI=1S/C21H16F3N7S/c22-21(23,24)13-9-16-18(26-10-13)31-20(30-16)29-14-3-1-12(2-4-14)5-7-25-19-17-15(6-8-32-17)27-11-28-19/h1-4,6,8-11H,5,7H2,(H,25,27,28)(H2,26,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora B after 60 mins				Bioorg Med Chem Lett 19: 5158-61 (2009) Article DOI: 10.1016/j.bmcl.2009.07.016 BindingDB Entry DOI: 10.7270/Q2T72HK2
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381739 (US10272079, Compound 96) Show SMILES CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNS(=O)(=O)c2ccc(O[C@@H]3[C@H](Cc4ccccc34)N3CCCCC3)cc2)c2cc(Cl)cc(Cl)c2C1 |r| Show InChI InChI=1S/C52H68Cl2N6O11S2/c1-59-36-46(45-34-40(53)35-48(54)47(45)37-59)38-9-7-10-43(32-38)73(65,66)58-21-27-70-31-29-68-25-19-56-51(62)17-16-50(61)55-18-24-67-28-30-69-26-20-57-72(63,64)42-14-12-41(13-15-42)71-52-44-11-4-3-8-39(44)33-49(52)60-22-5-2-6-23-60/h3-4,7-15,32,34-35,46,49,52,57-58H,2,5-6,16-31,33,36-37H2,1H3,(H,55,61)(H,56,62)/t46-,49-,52-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381743 (US10272079, Compound 100) Show SMILES O=C(NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1)c1ccc(cc1)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C60H76N6O12S2/c67-59(61-27-35-73-39-41-75-37-29-63-79(69,70)51-23-19-49(20-24-51)77-57-53-13-5-3-11-47(53)43-55(57)65-31-7-1-8-32-65)45-15-17-46(18-16-45)60(68)62-28-36-74-40-42-76-38-30-64-80(71,72)52-25-21-50(22-26-52)78-58-54-14-6-4-12-48(54)44-56(58)66-33-9-2-10-34-66/h3-6,11-26,55-58,63-64H,1-2,7-10,27-44H2,(H,61,67)(H,62,68)/t55-,56-,57-,58-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM381678 (US10272079, Compound 35) Show SMILES CN(CCN(CC(O)=O)CC(=O)NCCOCCOCCNC(=O)NCCOCCOCCOCCOc1ccc(cc1)-c1nc(NC(N)=N)nc2ccc(Cl)cc12)CC(O)=O Show InChI InChI=1S/C39H57ClN10O12/c1-49(26-34(52)53)11-12-50(27-35(54)55)25-33(51)43-8-13-57-16-17-58-14-9-44-39(56)45-10-15-59-18-19-60-20-21-61-22-23-62-30-5-2-28(3-6-30)36-31-24-29(40)4-7-32(31)46-38(47-36)48-37(41)42/h2-7,24H,8-23,25-27H2,1H3,(H,43,51)(H,52,53)(H,54,55)(H2,44,45,56)(H4,41,42,46,47,48)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Rattus norvegicus)	BDBM381794 (US10272079, Compound 151) Show SMILES CN(C)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)C(C)(C)C(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N(C)C)cc1 |r| Show InChI InChI=1S/C51H66Cl4N6O12S2/c1-51(2,49(62)56-15-19-68-23-25-70-21-17-58-74(64,65)37-11-7-35(8-12-37)72-47-41-27-33(52)29-43(54)39(41)31-45(47)60(3)4)50(63)57-16-20-69-24-26-71-22-18-59-75(66,67)38-13-9-36(10-14-38)73-48-42-28-34(53)30-44(55)40(42)32-46(48)61(5)6/h7-14,27-30,45-48,58-59H,15-26,31-32H2,1-6H3,(H,56,62)(H,57,63)/t45-,46-,47-,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Cell-based activity under Prompt Conditions. Rat or human NHE3-mediated Na+-dependent H+ antiport was measured using a modification of the pH sensiti...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q2251MHH
					More data for this Ligand-Target Pair

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