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Enter Data

null

SMILES: Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1

InChI Key: InChIKey=BYZQRWHNJVYODK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50206959
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM50206959 (CHEMBL3924257) Show SMILES Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1 Show InChI	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	420	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
Merck USA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50206959 (CHEMBL3924257) Show SMILES Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
Merck USA Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50206959 (CHEMBL3924257) Show SMILES Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1 Show InChI	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
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
Merck USA Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 21-hydroxylase (Homo sapiens (Human))	BDBM50206959 (CHEMBL3924257) Show SMILES Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
Merck USA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50206959 (CHEMBL3924257) Show SMILES Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
Merck USA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50206959 (CHEMBL3924257) Show SMILES Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1 Show InChI	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck USA Curated by ChEMBL					Assay Description Inhibition of hepatic CYP3A4 (unknown origin)				Bioorg Med Chem Lett 27: 143-146 (2017) Article DOI: 10.1016/j.bmcl.2016.12.003 BindingDB Entry DOI: 10.7270/Q20K2BK0
Merck USA Curated by ChEMBL					More data for this Ligand-Target Pair