BDBM50396463 CHEMBL2170611

SMILES: CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N

InChI Key: InChIKey=TVEWYIHFSHLKRL-UHFFFAOYSA-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 = 50396463   

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
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50396463 (CHEMBL2170611) Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins				J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50396463 (CHEMBL2170611) Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min...				J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50396463 (CHEMBL2170611) Show SMILES CC(=O)N1CCC(CC1)c1cc(C)c(cc1C(F)(F)F)C(=O)NC(N)=N Show InChI InChI=1S/C17H21F3N4O2/c1-9-7-13(11-3-5-24(6-4-11)10(2)25)14(17(18,19)20)8-12(9)15(26)23-16(21)22/h7-8,11H,3-6H2,1-2H3,(H4,21,22,23,26)	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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK 293 cells by PatchXpress assay				J Med Chem 55: 7114-40 (2012) Article DOI: 10.1021/jm300601d BindingDB Entry DOI: 10.7270/Q2FB5430
					More data for this Ligand-Target Pair