BDBM50082277 CHEMBL3421769

SMILES: [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1

InChI Key: InChIKey=NJQHXTMWQLKXLM-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50082277   

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
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50082277 (CHEMBL3421769) Show SMILES [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1 Show InChI InChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Cytochrome P450 11B1 (Rattus norvegicus)	BDBM50082277 (CHEMBL3421769) Show SMILES [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1 Show InChI InChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of rat CYP11B1 expressed in hamster fibroblast using 500 nM [3H]-11-deoxycorticosterone as substrate after 7 hrs by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50082277 (CHEMBL3421769) Show SMILES [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1 Show InChI InChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP19 expressed in hamster fibroblast using 500 nM [1beta-3H] androstenedione as substrate by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50082277 (CHEMBL3421769) Show SMILES [O-][N+](=O)c1ccc(c(OCCc2ccccc2)c1)-c1ccncc1 Show InChI InChI=1S/C19H16N2O3/c22-21(23)17-6-7-18(16-8-11-20-12-9-16)19(14-17)24-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 45 mins by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair