BDBM50240240 CHEMBL4102132

SMILES: Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=QXJYYBNFOZOHFW-LJQANCHMSA-N

Data: 6 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 6 hits for monomerid = 50240240   

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 2C19 (Homo sapiens (Human))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1	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	386	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by substrate addition measured aft...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by substrate addition measured a...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by substrate addition measured after 1...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in CHO-K1 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp ...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate preincubated for 10 mins followed by substrate addition measured after 1...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50240240 (CHEMBL4102132) Show SMILES Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8| Show InChI InChI=1S/C21H19ClF2N4O2S2/c22-16-10-20(32(29,30)28-21-26-8-9-31-21)17(24)11-18(16)27-12-19-15(2-1-7-25-19)13-3-5-14(23)6-4-13/h2-6,8-11,19,25,27H,1,7,12H2,(H,26,28)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by substrate addition measured after 10...				Bioorg Med Chem Lett 27: 2210-2215 (2017) Article DOI: 10.1016/j.bmcl.2017.03.043 BindingDB Entry DOI: 10.7270/Q2JH3PBN
					More data for this Ligand-Target Pair