Found 6 hits for monomerid = 50237368 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 |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50237368
(CHEMBL4062048)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase VB
(Homo sapiens (Human)) | BDBM50237368
(CHEMBL4062048)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50237368
(CHEMBL4062048)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Compound was tested for inhibition of [3H]DA binding to dopamine (DAT) transporter in HEK cells |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50237368
(CHEMBL4062048)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50237368
(CHEMBL4062048)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237368
(CHEMBL4062048)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |