BDBM50111218 CHEMBL3604734

SMILES: Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

InChI Key: InChIKey=BXZGSIDSJSGAJE-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 = 50111218   

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
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay				J Med Chem 58: 7021-56 (2015) BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 58: 7021-56 (2015) BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 7021-56 (2015) BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem 26: 2107-2150 (2018) Article DOI: 10.1016/j.bmc.2018.03.021 BindingDB Entry DOI: 10.7270/Q2MW2KS8
					More data for this Ligand-Target Pair
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by subs...				Bioorg Med Chem 26: 2107-2150 (2018) Article DOI: 10.1016/j.bmc.2018.03.021 BindingDB Entry DOI: 10.7270/Q2MW2KS8
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 26: 2107-2150 (2018) Article DOI: 10.1016/j.bmc.2018.03.021 BindingDB Entry DOI: 10.7270/Q2MW2KS8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Mus musculus)	BDBM50111218 (CHEMBL3604734) Show SMILES Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C19H15F4N3O/c1-10-8-16(11-4-2-5-12(18(24)27)17(11)26-10)25-9-13-14(19(21,22)23)6-3-7-15(13)20/h2-8H,9H2,1H3,(H2,24,27)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of mouse CD38				J Med Chem 58: 7021-56 (2015) BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair