BDBM50521109 CHEMBL4585588

SMILES: Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1

InChI Key: InChIKey=NFHYRDLQVJCKIG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50521109   

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
Adenylate cyclase (Homo sapiens (Human))	BDBM50521109 (CHEMBL4585588) Show SMILES Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C21H18F3N3O2/c1-12-8-16(11-17(9-12)21(22,23)24)18(28)25-20-27-26-19(29-20)15-7-6-13-4-2-3-5-14(13)10-15/h6-11H,2-5H2,1H3,(H,25,27,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human AC1 expressed in HEK293 cells assessed as decrease in A23187-stimulated cAMP accumulation preincubated for 30 mins followed by A2...				Eur J Med Chem 162: 568-585 (2019) Article DOI: 10.1016/j.ejmech.2018.11.036
					More data for this Ligand-Target Pair
Adenylate cyclase type 8 (Homo sapiens (Human))	BDBM50521109 (CHEMBL4585588) Show SMILES Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C21H18F3N3O2/c1-12-8-16(11-17(9-12)21(22,23)24)18(28)25-20-27-26-19(29-20)15-7-6-13-4-2-3-5-14(13)10-15/h6-11H,2-5H2,1H3,(H,25,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human AC8 expressed in HEK293 cells assessed as decrease in A23187-stimulated cAMP accumulation preincubated for 30 mins followed by A2...				Eur J Med Chem 162: 568-585 (2019) Article DOI: 10.1016/j.ejmech.2018.11.036
					More data for this Ligand-Target Pair