Found 297 hits with Last Name = 'mainolfi' and Initial = 'e' 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 |
|---|
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396463
(CHEMBL2170611)Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50249878
((R)-2-bromo-4,5-dimethoxy-N-(3-(1-methylpyrrolidin...)Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(O[C@@H]2CCN(C)C2)c1)C(F)(F)F |r| Show InChI InChI=1S/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed in human Chem-2 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 23: 2177-80 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396469
(CHEMBL2170610)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C16H19F3N4O2/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396471
(CHEMBL2170608)Show SMILES COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O3/c1-27-9-14(25)24-6-4-10(5-7-24)12-3-2-11(15(26)23-16(21)22)8-13(12)17(18,19)20/h2-3,8,10H,4-7,9H2,1H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396470
(CHEMBL2170609)Show SMILES CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-2-14(25)24-7-5-10(6-8-24)12-4-3-11(15(26)23-16(21)22)9-13(12)17(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396436
(CHEMBL2170615)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)c(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N5O4S/c22-21(23,24)17-11-14(18(30)28-20(25)26)3-6-16(17)12-7-9-29(10-8-12)19(31)13-1-4-15(5-2-13)34(27,32)33/h1-6,11-12H,7-10H2,(H2,27,32,33)(H4,25,26,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50249878
((R)-2-bromo-4,5-dimethoxy-N-(3-(1-methylpyrrolidin...)Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(c(O[C@@H]2CCN(C)C2)c1)C(F)(F)F |r| Show InChI InChI=1S/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human urotensin2 receptor expressed in CHO cells assessed as inhibition of urotensin2-stimulated Ca2+ mobilization... |
Bioorg Med Chem Lett 23: 2177-80 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396435
(CHEMBL2170617)Show SMILES Cn1ccnc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C19H21F3N6O2/c1-27-9-6-25-15(27)17(30)28-7-4-11(5-8-28)13-3-2-12(16(29)26-18(23)24)10-14(13)19(20,21)22/h2-3,6,9-11H,4-5,7-8H2,1H3,(H4,23,24,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396464
(CHEMBL2170603)Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C17H24N4O4S/c1-10-8-14(12-4-6-21(7-5-12)11(2)22)15(26(3,24)25)9-13(10)16(23)20-17(18)19/h8-9,12H,4-7H2,1-3H3,(H4,18,19,20,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396465
(CHEMBL2169894)Show SMILES CCC(=O)N1CCC(CC1)c1cc(C)c(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C18H26N4O4S/c1-4-16(23)22-7-5-12(6-8-22)14-9-11(2)13(17(24)21-18(19)20)10-15(14)27(3,25)26/h9-10,12H,4-8H2,1-3H3,(H4,19,20,21,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396443
(CHEMBL2170632)Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C22H23F3N4O4S/c1-34(32,33)16-5-2-14(3-6-16)20(31)29-10-8-13(9-11-29)17-7-4-15(19(30)28-21(26)27)12-18(17)22(23,24)25/h2-7,12-13H,8-11H2,1H3,(H4,26,27,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396472
(CHEMBL2170607)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)C2CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O2/c19-18(20,21)14-9-12(15(26)24-17(22)23)3-4-13(14)10-5-7-25(8-6-10)16(27)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H4,22,23,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396439
(CHEMBL2170637)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccn2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)15-11-13(17(29)27-19(24)25)4-5-14(15)12-6-9-28(10-7-12)18(30)16-3-1-2-8-26-16/h1-5,8,11-12H,6-7,9-10H2,(H4,24,25,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396440
(CHEMBL2170636)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccnc2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)16-10-13(17(29)27-19(24)25)3-4-15(16)12-5-8-28(9-6-12)18(30)14-2-1-7-26-11-14/h1-4,7,10-12H,5-6,8-9H2,(H4,24,25,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396441
(CHEMBL2170635)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccncc2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)16-11-14(17(29)27-19(24)25)1-2-15(16)12-5-9-28(10-6-12)18(30)13-3-7-26-8-4-13/h1-4,7-8,11-12H,5-6,9-10H2,(H4,24,25,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396434
(CHEMBL2170618)Show SMILES Cn1cncc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C19H21F3N6O2/c1-27-10-25-9-15(27)17(30)28-6-4-11(5-7-28)13-3-2-12(16(29)26-18(23)24)8-14(13)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H4,23,24,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396437
(CHEMBL2170639)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(=O)[nH]c2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O3/c21-20(22,23)15-9-12(17(30)27-19(24)25)1-3-14(15)11-5-7-28(8-6-11)18(31)13-2-4-16(29)26-10-13/h1-4,9-11H,5-8H2,(H,26,29)(H4,24,25,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396468
(CHEMBL2170612)Show SMILES COc1cc(C2CCN(CC2)C(C)=O)c(cc1C(=O)NC(N)=N)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O3/c1-9(25)24-5-3-10(4-6-24)11-8-14(27-2)12(15(26)23-16(21)22)7-13(11)17(18,19)20/h7-8,10H,3-6H2,1-2H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396449
(CHEMBL2170628)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(O)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)17-11-14(18(30)27-20(25)26)3-6-16(17)12-7-9-28(10-8-12)19(31)13-1-4-15(29)5-2-13/h1-6,11-12,29H,7-10H2,(H4,25,26,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396466
(CHEMBL2170614)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C16H22N4O4S/c1-10(21)20-7-5-11(6-8-20)13-4-3-12(15(22)19-16(17)18)9-14(13)25(2,23)24/h3-4,9,11H,5-8H2,1-2H3,(H4,17,18,19,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396436
(CHEMBL2170615)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)c(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N5O4S/c22-21(23,24)17-11-14(18(30)28-20(25)26)3-6-16(17)12-7-9-29(10-8-12)19(31)13-1-4-15(5-2-13)34(27,32)33/h1-6,11-12H,7-10H2,(H2,27,32,33)(H4,25,26,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50431980
(CHEMBL2348501)Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 |r| Show InChI InChI=1S/C19H22BrClN2O5S/c1-23-7-6-13(11-23)28-16-8-12(4-5-15(16)21)22-29(24,25)19-10-18(27-3)17(26-2)9-14(19)20/h4-5,8-10,13,22H,6-7,11H2,1-3H3/t13-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed in human Chem-2 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 23: 2177-80 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396446
(CHEMBL2170629)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H20F3N5O2/c23-22(24,25)18-11-16(19(31)29-21(27)28)5-6-17(18)14-7-9-30(10-8-14)20(32)15-3-1-13(12-26)2-4-15/h1-6,11,14H,7-10H2,(H4,27,28,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396437
(CHEMBL2170639)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(=O)[nH]c2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O3/c21-20(22,23)15-9-12(17(30)27-19(24)25)1-3-14(15)11-5-7-28(8-6-11)18(31)13-2-4-16(29)26-10-13/h1-4,9-11H,5-8H2,(H,26,29)(H4,24,25,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396438
(CHEMBL2170638)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C(N)=O)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22F3N5O3/c23-22(24,25)17-11-15(19(32)29-21(27)28)5-6-16(17)12-7-9-30(10-8-12)20(33)14-3-1-13(2-4-14)18(26)31/h1-6,11-12H,7-10H2,(H2,26,31)(H4,27,28,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396447
(CHEMBL2170616)Show SMILES Cc1cc(nn1C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C20H23F3N6O2/c1-11-9-16(27-28(11)2)18(31)29-7-5-12(6-8-29)14-4-3-13(17(30)26-19(24)25)10-15(14)20(21,22)23/h3-4,9-10,12H,5-8H2,1-2H3,(H4,24,25,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396462
(SABIPORIDE)Show SMILES NC(=N)NC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc[nH]2)c(c1)C(F)(F)F Show InChI InChI=1S/C18H19F3N6O2/c19-18(20,21)12-10-11(15(28)25-17(22)23)3-4-14(12)26-6-8-27(9-7-26)16(29)13-2-1-5-24-13/h1-5,10,24H,6-9H2,(H4,22,23,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396473
(CHEMBL2170606)Show SMILES CC(C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C18H23F3N4O2/c1-10(2)16(27)25-7-5-11(6-8-25)13-4-3-12(15(26)24-17(22)23)9-14(13)18(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H4,22,23,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396463
(CHEMBL2170611)Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396475
(CHEMBL2170604)Show SMILES CCCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C18H23F3N4O2/c1-2-3-15(26)25-8-6-11(7-9-25)13-5-4-12(16(27)24-17(22)23)10-14(13)18(19,20)21/h4-5,10-11H,2-3,6-9H2,1H3,(H4,22,23,24,27) | PDB
NCI pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396467
(CHEMBL2170613)Show SMILES CCC(=O)N1CCC(CC1)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N Show InChI InChI=1S/C17H24N4O4S/c1-3-15(22)21-8-6-11(7-9-21)13-5-4-12(16(23)20-17(18)19)10-14(13)26(2,24)25/h4-5,10-11H,3,6-9H2,1-2H3,(H4,18,19,20,23) | PDB
NCI pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396479
(CHEMBL2170622)Show SMILES CNS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C22H24F3N5O4S/c1-28-35(33,34)16-5-2-14(3-6-16)20(32)30-10-8-13(9-11-30)17-7-4-15(19(31)29-21(26)27)12-18(17)22(23,24)25/h2-7,12-13,28H,8-11H2,1H3,(H4,26,27,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396469
(CHEMBL2170610)Show SMILES CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C16H19F3N4O2/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396470
(CHEMBL2170609)Show SMILES CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-2-14(25)24-7-5-10(6-8-24)12-4-3-11(15(26)23-16(21)22)9-13(12)17(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396440
(CHEMBL2170636)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccnc2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O2/c21-20(22,23)16-10-13(17(29)27-19(24)25)3-4-15(16)12-5-8-28(9-6-12)18(30)14-2-1-7-26-11-14/h1-4,7,10-12H,5-6,8-9H2,(H4,24,25,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396451
(CHEMBL2170626)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccc(c2)-c2cnco2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3/c25-24(26,27)19-11-16(21(33)31-23(28)29)4-5-18(19)14-6-8-32(9-7-14)22(34)17-3-1-2-15(10-17)20-12-30-13-35-20/h1-5,10-14H,6-9H2,(H4,28,29,31,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50431963
(CHEMBL2348502)Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Cc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 |r| Show InChI InChI=1S/C20H23BrClNO5S/c1-23-7-6-14(11-23)28-17-8-13(4-5-16(17)22)12-29(24,25)20-10-19(27-3)18(26-2)9-15(20)21/h4-5,8-10,14H,6-7,11-12H2,1-3H3/t14-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| 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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed in human Chem-2 cells after 4 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 23: 2177-80 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396445
(CHEMBL2170630)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccc(c2)C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H20F3N5O2/c23-22(24,25)18-11-15(19(31)29-21(27)28)4-5-17(18)14-6-8-30(9-7-14)20(32)16-3-1-2-13(10-16)12-26/h1-5,10-11,14H,6-9H2,(H4,27,28,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396438
(CHEMBL2170638)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C(N)=O)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22F3N5O3/c23-22(24,25)17-11-15(19(32)29-21(27)28)5-6-16(17)12-7-9-30(10-8-12)20(33)14-3-1-13(2-4-14)18(26)31/h1-6,11-12H,7-10H2,(H2,26,31)(H4,27,28,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396478
(CHEMBL2170623)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C23H26F3N5O4S/c1-30(2)36(34,35)17-6-3-15(4-7-17)21(33)31-11-9-14(10-12-31)18-8-5-16(20(32)29-22(27)28)13-19(18)23(24,25)26/h3-8,13-14H,9-12H2,1-2H3,(H4,27,28,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396461
(CHEMBL2170650)Show SMILES NC(=N)NC(=O)c1ccc(N2CCC(C2)NC(=O)c2ccc[nH]2)c(c1)C(F)(F)F Show InChI InChI=1S/C18H19F3N6O2/c19-18(20,21)12-8-10(15(28)26-17(22)23)3-4-14(12)27-7-5-11(9-27)25-16(29)13-2-1-6-24-13/h1-4,6,8,11,24H,5,7,9H2,(H,25,29)(H4,22,23,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50302272
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30) | Reactome pathway
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MCE
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Patents
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PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human urotensin2 receptor expressed in CHO cells assessed as inhibition of urotensin2-stimulated Ca2+ mobilization... |
Bioorg Med Chem Lett 23: 2177-80 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396459
(CHEMBL2170640)Show SMILES NC(=N)NC(=O)c1ccc(N2CCC(CC2)NC(=O)c2ccc[nH]2)c(c1)C(F)(F)F Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)13-10-11(16(29)27-18(23)24)3-4-15(13)28-8-5-12(6-9-28)26-17(30)14-2-1-7-25-14/h1-4,7,10,12,25H,5-6,8-9H2,(H,26,30)(H4,23,24,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50431980
(CHEMBL2348501)Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Nc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1 |r| Show InChI InChI=1S/C19H22BrClN2O5S/c1-23-7-6-13(11-23)28-16-8-12(4-5-15(16)21)22-29(24,25)19-10-18(27-3)17(26-2)9-14(19)20/h4-5,8-10,13,22H,6-7,11H2,1-3H3/t13-/m1/s1 | Reactome pathway
KEGG
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| Article
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human urotensin2 receptor expressed in CHO cells assessed as inhibition of urotensin2-stimulated Ca2+ mobilization... |
Bioorg Med Chem Lett 23: 2177-80 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396458
(CHEMBL2170641)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc[nH]2)c(c1)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2/c20-19(21,22)14-10-12(16(28)26-18(23)24)3-4-13(14)11-5-8-27(9-6-11)17(29)15-2-1-7-25-15/h1-4,7,10-11,25H,5-6,8-9H2,(H4,23,24,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396476
(CHEMBL2170625)Show SMILES CC(C)CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C19H25F3N4O2/c1-11(2)9-16(27)26-7-5-12(6-8-26)14-4-3-13(17(28)25-18(23)24)10-15(14)19(20,21)22/h3-4,10-12H,5-9H2,1-2H3,(H4,23,24,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
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UniChem
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PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396471
(CHEMBL2170608)Show SMILES COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O3/c1-27-9-14(25)24-6-4-10(5-7-24)12-3-2-11(15(26)23-16(21)22)8-13(12)17(18,19)20/h2-3,8,10H,4-7,9H2,1H3,(H4,21,22,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396442
(CHEMBL2170633)Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C22H23F3N4O4S/c1-34(32,33)16-4-2-3-15(11-16)20(31)29-9-7-13(8-10-29)17-6-5-14(19(30)28-21(26)27)12-18(17)22(23,24)25/h2-6,11-13H,7-10H2,1H3,(H4,26,27,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396472
(CHEMBL2170607)Show SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)C2CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O2/c19-18(20,21)14-9-12(15(26)24-17(22)23)3-4-13(14)10-5-7-25(8-6-10)16(27)11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H4,22,23,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min... |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
Sodium/hydrogen exchanger 1
(Homo sapiens (Human)) | BDBM50396480
(CHEMBL2170621)Show SMILES CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C24H26F3N5O3/c1-31(2)21(34)15-3-5-16(6-4-15)22(35)32-11-9-14(10-12-32)18-8-7-17(20(33)30-23(28)29)13-19(18)24(25,26)27/h3-8,13-14H,9-12H2,1-2H3,(H4,28,29,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins |
J Med Chem 55: 7114-40 (2012)
Article DOI: 10.1021/jm300601d
BindingDB Entry DOI: 10.7270/Q2FB5430 |
More data for this
Ligand-Target Pair | |
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