BDBM50509618 CHEMBL4463663

SMILES: Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1

InChI Key: InChIKey=VPVGGXRVWGBGDZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50509618   

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 2C9 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 using tolubutamide as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 using S-mephenytoin as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 using dextromethorphan as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	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	2.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using sorafenib as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human ERG by competitive fluorescence polarization assay				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 using phenacetin as substrate by LC/MS/MS analysis				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50509618 (CHEMBL4463663) Show SMILES Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1 Show InChI InChI=1S/C18H17F4N3O4S/c19-12-8-15(23)11(18(27)24-9-5-13(20)17(22)14(21)6-9)7-16(12)30(28,29)25-3-1-10(26)2-4-25/h5-8,10,26H,1-4,23H2,(H,24,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in human HEK293 cells by patch clamp assay				ACS Med Chem Lett 11: 166-171 (2020) Article DOI: 10.1021/acsmedchemlett.9b00550
					More data for this Ligand-Target Pair