BDBM50128213 CHEMBL71371::Sulfamic acid 10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
SMILES: C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OS(N)(=O)=O)C1CCC2=O
InChI Key: InChIKey=PGZGPYMGHNIKHG-WYTRLKPUSA-N
Data: 3 KI
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)) | BDBM50128213 (CHEMBL71371 | Sulfamic acid 10,13-dimethyl-17-oxo-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase II | J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50128213 (CHEMBL71371 | Sulfamic acid 10,13-dimethyl-17-oxo-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase I | J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50128213 (CHEMBL71371 | Sulfamic acid 10,13-dimethyl-17-oxo-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier II Curated by ChEMBL | Assay Description Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX. | J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T | |||||||||||
More data for this Ligand-Target Pair |