null

SMILES: C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cnccn1

InChI Key: InChIKey=QVTBBCPMVZFZTF-GBBRVUAASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50128542   

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))	BDBM50128542 ((3S,10R,13S)-10,13-Dimethyl-17-pyrazin-2-yl-2,3,4,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cnccn1 |c:21,t:7| Show InChI InChI=1S/C23H30N2O/c1-22-9-7-16(26)13-15(22)3-4-17-18-5-6-20(21-14-24-11-12-25-21)23(18,2)10-8-19(17)22/h3,6,11-12,14,16-19,26H,4-5,7-10,13H2,1-2H3/t16-,17?,18?,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50128542 ((3S,10R,13S)-10,13-Dimethyl-17-pyrazin-2-yl-2,3,4,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cnccn1 |c:21,t:7| Show InChI InChI=1S/C23H30N2O/c1-22-9-7-16(26)13-15(22)3-4-17-18-5-6-20(21-14-24-11-12-25-21)23(18,2)10-8-19(17)22/h3,6,11-12,14,16-19,26H,4-5,7-10,13H2,1-2H3/t16-,17?,18?,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Accelrys Curated by ChEMBL					Assay Description In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escheric...				J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7
					More data for this Ligand-Target Pair