Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 344.4 BDBM50395608

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM50395608 (CHEMBL2165321) Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1 Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50395608 (CHEMBL2165321) Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1 Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50395608 (CHEMBL2165321) Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1 Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50395608 (CHEMBL2165321) Show SMILES CN1C(=O)CCc2cc(c(OCc3ccccc3)cc12)-c1cccnc1 Show InChI InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate				J Med Chem 55: 7080-9 (2012) Article DOI: 10.1021/jm3004637 BindingDB Entry DOI: 10.7270/Q2542PPJ
					More data for this Ligand-Target Pair