BDBM50131217 CHEMBL3634407

SMILES: Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)c12

InChI Key: InChIKey=KEQJVXCNVVFRCN-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 = 50131217   

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
Bcr-Abl (Homo sapiens (Human))	BDBM50131217 (CHEMBL3634407) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)c12 Show InChI InChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50131217 (CHEMBL3634407) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)c12 Show InChI InChI=1S/C25H22FN5O2/c26-19-4-1-3-18(15-19)25(33)31-13-11-30(12-14-31)24(32)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(27)29-28-21/h1-10,15H,11-14H2,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair