Found 4 hits for monomerid = 50049504 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 2
(Homo sapiens (Human)) | BDBM50049504
(CHEMBL3313934)Show SMILES CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H30N4O6S/c1-13(24)22-16(10-5-6-11-21-18(26)29-19(2,3)4)17(25)23-14-8-7-9-15(12-14)30(20,27)28/h7-9,12,16H,5-6,10-11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)(H2,20,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.10E+3 | 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 human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
ACS Med Chem Lett 5: 826-30 (2014)
Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50049504
(CHEMBL3313934)Show SMILES CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H30N4O6S/c1-13(24)22-16(10-5-6-11-21-18(26)29-19(2,3)4)17(25)23-14-8-7-9-15(12-14)30(20,27)28/h7-9,12,16H,5-6,10-11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)(H2,20,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.10E+3 | 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 human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 4006-10 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50049504
(CHEMBL3313934)Show SMILES CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H30N4O6S/c1-13(24)22-16(10-5-6-11-21-18(26)29-19(2,3)4)17(25)23-14-8-7-9-15(12-14)30(20,27)28/h7-9,12,16H,5-6,10-11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)(H2,20,27,28) | 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
| 6.03E+3 | 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 human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 4006-10 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50049504
(CHEMBL3313934)Show SMILES CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H30N4O6S/c1-13(24)22-16(10-5-6-11-21-18(26)29-19(2,3)4)17(25)23-14-8-7-9-15(12-14)30(20,27)28/h7-9,12,16H,5-6,10-11H2,1-4H3,(H,21,26)(H,22,24)(H,23,25)(H2,20,27,28) | 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
| 6.03E+3 | 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 human carbonic anhydrase 1 by stopped flow CO2 hydration assay |
ACS Med Chem Lett 5: 826-30 (2014)
Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D |
More data for this Ligand-Target Pair | |