BDBM50398452 CHEMBL2179110
SMILES: CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12
InChI Key: InChIKey=VZGAHAQWKVTWEF-RAPVPNNWSA-N
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 |
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Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM50398452 (CHEMBL2179110) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 11.8 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York Upstate Medical University Curated by ChEMBL | Assay Description Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water method | J Med Chem 55: 8464-76 (2012) Article DOI: 10.1021/jm300930n BindingDB Entry DOI: 10.7270/Q2BZ675S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM50398452 (CHEMBL2179110) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
American University of Ras Al Khaimah Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) | Eur J Med Chem 102: 375-86 (2015) BindingDB Entry DOI: 10.7270/Q2ZC84Q6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |