BDBM50100317 CHEMBL3321822

SMILES: NC(=O)c1c(N)n(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2nc3ccccc3nc12

InChI Key: InChIKey=RQXYLZHJULSWPX-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50100317   

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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50100317 (CHEMBL3321822) Show SMILES NC(=O)c1c(N)n(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2nc3ccccc3nc12 Show InChI InChI=1S/C25H18F3N7O2/c26-25(27,28)13-4-3-5-15(12-13)32-24(37)31-14-8-10-16(11-9-14)35-21(29)19(22(30)36)20-23(35)34-18-7-2-1-6-17(18)33-20/h1-12H,29H2,(H2,30,36)(H2,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Inhibition of phosphorylation of full-length myc-tagged human EphB4 overexpressed in mouse embryonic fibroblasts after 90 mins by sandwich ELISA				J Med Chem 57: 6834-44 (2014) Article DOI: 10.1021/jm5009242 BindingDB Entry DOI: 10.7270/Q2TQ638D
					More data for this Ligand-Target Pair
Ephrin type-A receptor 3 (Homo sapiens (Human))	BDBM50100317 (CHEMBL3321822) Show SMILES NC(=O)c1c(N)n(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2nc3ccccc3nc12 Show InChI InChI=1S/C25H18F3N7O2/c26-25(27,28)13-4-3-5-15(12-13)32-24(37)31-14-8-10-16(11-9-14)35-21(29)19(22(30)36)20-23(35)34-18-7-2-1-6-17(18)33-20/h1-12H,29H2,(H2,30,36)(H2,31,32,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Binding affinity to EphA3 (unknown origin) by surface plasmon resonance				J Med Chem 57: 6834-44 (2014) Article DOI: 10.1021/jm5009242 BindingDB Entry DOI: 10.7270/Q2TQ638D
					More data for this Ligand-Target Pair				3D Structure (crystal)