Found 4 hits for monomerid = 50098366 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)) | BDBM50098366
(CHEMBL3594406)Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12 Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.5 | 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 9
(Homo sapiens (Human)) | BDBM50098366
(CHEMBL3594406)Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12 Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22) | 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
| 172 | 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 | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50098366
(CHEMBL3594406)Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12 Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22) | 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
| 182 | 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 2
(Homo sapiens (Human)) | BDBM50098366
(CHEMBL3594406)Show SMILES Nc1nc(SCC(=O)Nc2nc3ccc(cc3s2)S(N)(=O)=O)nc2[nH]ncc12 Show InChI InChI=1S/C14H12N8O3S3/c15-11-7-4-17-22-12(7)21-13(20-11)26-5-10(23)19-14-18-8-2-1-6(28(16,24)25)3-9(8)27-14/h1-4H,5H2,(H2,16,24,25)(H,18,19,23)(H3,15,17,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 226 | 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 | |