BDBM50457836 CHEMBL4213038

SMILES: Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1

InChI Key: InChIKey=BCBOSJKHVGJHKV-VQIMIIECSA-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 = 50457836   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457836 (CHEMBL4213038) Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H21F4N5O3/c1-30-10-17(29-12-30)14-7-18(21(27)28-8-14)33-19-11-31(9-16(19)23)20(32)6-13-2-4-15(5-3-13)34-22(24,25)26/h2-5,7-8,10,12,16,19H,6,9,11H2,1H3,(H2,27,28)/t16-,19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by fluorescence polarization assay				J Med Chem 61: 6779-6800 (2018) Article DOI: 10.1021/acs.jmedchem.8b00633 BindingDB Entry DOI: 10.7270/Q2K64MPW
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50457836 (CHEMBL4213038) Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H21F4N5O3/c1-30-10-17(29-12-30)14-7-18(21(27)28-8-14)33-19-11-31(9-16(19)23)20(32)6-13-2-4-15(5-3-13)34-22(24,25)26/h2-5,7-8,10,12,16,19H,6,9,11H2,1H3,(H2,27,28)/t16-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...				J Med Chem 61: 6779-6800 (2018) Article DOI: 10.1021/acs.jmedchem.8b00633 BindingDB Entry DOI: 10.7270/Q2K64MPW
					More data for this Ligand-Target Pair