BDBM50211225 CHEMBL3957831

SMILES: CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1

InChI Key: InChIKey=MAEHWTXHQDRFIE-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 = 50211225   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50211225 (CHEMBL3957831) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-16-26(20-37-19-22)32(43)41-10-8-28(9-11-41)44-30-18-27(7-4-23(30)2)38-31(42)24-5-6-25(29(17-24)33(34,35)36)21-40-14-12-39(3)13-15-40/h4-7,16-20,28H,8-15,21H2,1-3H3,(H,38,42)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50211225 (CHEMBL3957831) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1 Show InChI InChI=1S/C33H38F3N5O3/c1-22-16-26(20-37-19-22)32(43)41-10-8-28(9-11-41)44-30-18-27(7-4-23(30)2)38-31(42)24-5-6-25(29(17-24)33(34,35)36)21-40-14-12-39(3)13-15-40/h4-7,16-20,28H,8-15,21H2,1-3H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...				J Med Chem 60: 273-289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01290 BindingDB Entry DOI: 10.7270/Q2J10591
					More data for this Ligand-Target Pair