BDBM314740 US9611270, Example 42
SMILES: C[C@]12CC[C@H]3[C@@H](CC(C(N)=O)=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
InChI Key: InChIKey=CPGOQTKJUPLDPD-ACAUBTHISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human)) | BDBM314740 (US9611270, Example 42) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF KANSAS US Patent | Assay Description Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for... | US Patent US9611270 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KTZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human)) | BDBM314740 (US9611270, Example 42) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progester... | J Med Chem 61: 4946-4960 (2018) Article DOI: 10.1021/acs.jmedchem.8b00419 BindingDB Entry DOI: 10.7270/Q2D2217B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Steroid 21-hydroxylase (Homo sapiens (Human)) | BDBM314740 (US9611270, Example 42) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 673 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesteron... | J Med Chem 61: 4946-4960 (2018) Article DOI: 10.1021/acs.jmedchem.8b00419 BindingDB Entry DOI: 10.7270/Q2D2217B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 21-hydroxylase (Homo sapiens (Human)) | BDBM314740 (US9611270, Example 42) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF KANSAS US Patent | Assay Description Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for... | US Patent US9611270 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KTZ | |||||||||||
More data for this Ligand-Target Pair |