BDBM50058715 CHEMBL64360::EMD-96785::ENIPORIDE::N-(5-Methanesulfonyl-2-methyl-4-pyrrol-1-yl-benzoyl)-guanidine::N-(5-Methanesulfonyl-2-methyl-4-pyrrol-1-yl-benzoyl)-guanidine (Eniporide, EMD-96-875)::N-(diaminomethylene)-2-methyl-5-(methylsulfonyl)-4-(1H-pyrrol-1-yl)benzamide
SMILES: Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)-n1cccc1
InChI Key: InChIKey=UADMBZFZZOBWBB-UHFFFAOYSA-N
Data: 10 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium/hydrogen exchanger 2 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50% | Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 1 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50% | Bioorg Med Chem Lett 11: 803-7 (2001) BindingDB Entry DOI: 10.7270/Q2TM79CK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 3 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity | J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 5 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity | J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 3 (Oryctolagus cuniculus) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of 5-N-(ethyl isopropyl)-amiloride[EIPA]-sensitive Na+ uptake into acidified rabbit erythrocytes. | J Med Chem 40: 2017-34 (1997) Article DOI: 10.1021/jm960768n BindingDB Entry DOI: 10.7270/Q28055BJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 2 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity | J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 2 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human NHE2 expressed in Ap1 cell line | Bioorg Med Chem Lett 16: 4796-9 (2006) Article DOI: 10.1016/j.bmcl.2006.06.077 BindingDB Entry DOI: 10.7270/Q2DN44P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 1 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human NHE1 expressed in Ap1 cell line | Bioorg Med Chem Lett 16: 4796-9 (2006) Article DOI: 10.1016/j.bmcl.2006.06.077 BindingDB Entry DOI: 10.7270/Q2DN44P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 3 (Oryctolagus cuniculus) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes | J Med Chem 41: 3736-47 (1998) Article DOI: 10.1021/jm981031w BindingDB Entry DOI: 10.7270/Q2BK1G33 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium/hydrogen exchanger 1 (Homo sapiens (Human)) | BDBM50058715 (CHEMBL64360 | EMD-96785 | ENIPORIDE | N-(5-Methane...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity | J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4 | |||||||||||
More data for this Ligand-Target Pair |