null

SMILES: Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=SBBAFQFNVBQQLF-SNVBAGLBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50237510   

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))	BDBM50237510 (CHEMBL4062380 | US10836758, Example 43) Show SMILES Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-6-14(25(22,23)21-15-19-4-5-24-15)12(17)7-13(11)20-9-10-2-1-3-18-8-10/h4-7,10,18,20H,1-3,8-9H2,(H,19,21)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as inhibition of dealkylation				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237510 (CHEMBL4062380 | US10836758, Example 43) Show SMILES Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-6-14(25(22,23)21-15-19-4-5-24-15)12(17)7-13(11)20-9-10-2-1-3-18-8-10/h4-7,10,18,20H,1-3,8-9H2,(H,19,21)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	272	n/a	n/a	n/a	n/a	n/a	n/a
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK2...				US Patent US10836758 (2020)
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50237510 (CHEMBL4062380 | US10836758, Example 43) Show SMILES Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r| Show InChI InChI=1S/C15H18ClFN4O2S2/c16-11-6-14(25(22,23)21-15-19-4-5-24-15)12(17)7-13(11)20-9-10-2-1-3-18-8-10/h4-7,10,18,20H,1-3,8-9H2,(H,19,21)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured af...				J Med Chem 60: 2513-2525 (2017) Article DOI: 10.1021/acs.jmedchem.6b01918 BindingDB Entry DOI: 10.7270/Q2057J69
					More data for this Ligand-Target Pair