BDBM50521182 CHEMBL4456312

SMILES: NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N

InChI Key: InChIKey=TVOGDPWVBCCZIN-ROUUACIJSA-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 = 50521182   

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 3A4 (Homo sapiens (Human))	BDBM50521182 (CHEMBL4456312) Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4 (unknown origin) in presence of NADPH by vivid red substrate-based assay				J Med Chem 61: 11209-11220 (2018) Article DOI: 10.1021/acs.jmedchem.8b01344
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50521182 (CHEMBL4456312) Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by Qpatch assay				J Med Chem 61: 11209-11220 (2018) Article DOI: 10.1021/acs.jmedchem.8b01344
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50521182 (CHEMBL4456312) Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10...				J Med Chem 61: 11209-11220 (2018) Article DOI: 10.1021/acs.jmedchem.8b01344
					More data for this Ligand-Target Pair