BDBM185145 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine::AEW-541

SMILES: Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)C1CC(CN2CCC2)C1

InChI Key: InChIKey=AECDBHGVIIRMOI-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 185145   

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
Ferrochelatase R115L (FECH) (Homo sapiens (Human))	BDBM185145 (7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylm...) Show SMILES Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)C1CC(CN2CCC2)C1 |(4.47,1.16,;4.47,-.38,;3.14,-1.15,;3.14,-2.69,;4.47,-3.46,;5.81,-2.69,;7.27,-3.16,;8.16,-1.92,;7.27,-.68,;7.74,.79,;9.25,1.1,;9.73,2.57,;8.7,3.71,;7.19,3.4,;6.17,4.54,;6.64,6.01,;5.62,7.15,;6.09,8.62,;5.07,9.76,;3.56,9.44,;3.08,7.98,;4.11,6.83,;6.72,1.93,;5.81,-1.15,;7.74,-4.62,;9.12,-5.32,;8.42,-6.69,;8.9,-8.15,;10.41,-8.47,;11.25,-9.76,;12.54,-8.92,;11.7,-7.63,;7.05,-5.99,)| Show InChI InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...				ACS Chem Biol 11: 1245-54 (2016) Article DOI: 10.1021/acschembio.5b01063 BindingDB Entry DOI: 10.7270/Q2FB51R8
					More data for this Ligand-Target Pair