BDBM50442326 CHEMBL2442758

SMILES: CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1

InChI Key: InChIKey=JJBBGSQNJYBGBL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50442326   

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 19A1 (Homo sapiens (Human))	BDBM50442326 (CHEMBL2442758) Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50442326 (CHEMBL2442758) Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50442326 (CHEMBL2442758) Show SMILES CCn1ccc2c1ccc1c(Cn3ccnc3)cc(nc21)-c1ccccc1 Show InChI InChI=1S/C23H20N4/c1-2-27-12-10-20-22(27)9-8-19-18(15-26-13-11-24-16-26)14-21(25-23(19)20)17-6-4-3-5-7-17/h3-14,16H,2,15H2,1H3	PDB 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	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor				J Med Chem 56: 7536-51 (2013) Article DOI: 10.1021/jm400377z BindingDB Entry DOI: 10.7270/Q2M046WV
					More data for this Ligand-Target Pair