BDBM50337123 4-(((6-cyano-4'-methoxybiphenyl-3-yl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate::CHEMBL1672980

SMILES: COc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(OS(N)(=O)=O)cc1)n1cnnc1

InChI Key: InChIKey=NGRUXADTVRQEHA-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 = 50337123   

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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50337123 (4-(((6-cyano-4'-methoxybiphenyl-3-yl)(4H-1,2,4-tri...) Show SMILES COc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(OS(N)(=O)=O)cc1)n1cnnc1 Show InChI InChI=1S/C23H20N6O4S/c1-32-21-10-5-18(6-11-21)23-12-20(7-4-19(23)13-24)29(28-15-26-27-16-28)14-17-2-8-22(9-3-17)33-34(25,30)31/h2-12,15-16H,14H2,1H3,(H2,25,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 hr by scintillation spectrometry				ACS Med Chem Lett 2: 243-247 (2011) Article DOI: 10.1021/ml100273k BindingDB Entry DOI: 10.7270/Q2X067BN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50337123 (4-(((6-cyano-4'-methoxybiphenyl-3-yl)(4H-1,2,4-tri...) Show SMILES COc1ccc(cc1)-c1cc(ccc1C#N)N(Cc1ccc(OS(N)(=O)=O)cc1)n1cnnc1 Show InChI InChI=1S/C23H20N6O4S/c1-32-21-10-5-18(6-11-21)23-12-20(7-4-19(23)13-24)29(28-15-26-27-16-28)14-17-2-8-22(9-3-17)33-34(25,30)31/h2-12,15-16H,14H2,1H3,(H2,25,30,31)	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	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione after 1 hr by scintillation spectrometry				ACS Med Chem Lett 2: 243-247 (2011) Article DOI: 10.1021/ml100273k BindingDB Entry DOI: 10.7270/Q2X067BN
					More data for this Ligand-Target Pair