BDBM132117 USRE45173, 28A

SMILES: Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]ncc2c1

InChI Key: InChIKey=MEDAUGPDIHAEHS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 132117   

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 (Rattus norvegicus (Rat))	BDBM132117 (USRE45173, 28A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-2-3-14-12(8-13)9-18-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM132117 (USRE45173, 28A) Show SMILES Cc1ccncc1N1CCN(C1=O)c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C16H15N5O/c1-11-4-5-17-10-15(11)21-7-6-20(16(21)22)13-2-3-14-12(8-13)9-18-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...				US Patent USRE45173 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FT2
					More data for this Ligand-Target Pair