Found 4 hits for monomerid = 50098368 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 12
(Homo sapiens (Human)) | BDBM50098368
(CHEMBL3594404)Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1 Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jazan University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by by stopped flow CO2 hydration method |
Bioorg Med Chem 23: 4989-99 (2015)
Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50098368
(CHEMBL3594404)Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1 Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jazan University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 by by stopped flow CO2 hydration method |
Bioorg Med Chem 23: 4989-99 (2015)
Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50098368
(CHEMBL3594404)Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1 Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jazan University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method |
Bioorg Med Chem 23: 4989-99 (2015)
Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50098368
(CHEMBL3594404)Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)n1 Show InChI InChI=1S/C13H12N6O4S3/c14-9-4-10(20)18-12(17-9)24-5-11(21)19-13-16-7-2-1-6(26(15,22)23)3-8(7)25-13/h1-4H,5H2,(H2,15,22,23)(H,16,19,21)(H3,14,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 253 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jazan University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method |
Bioorg Med Chem 23: 4989-99 (2015)
Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2 |
More data for this Ligand-Target Pair | |