BDBM22929 1-[(2R)-1-hydroxy-4-[6-(3-phenylpropanamido)-1H-indol-1-yl]butan-2-yl]-1H-imidazole-4-carboxamide::Hybrid compound 1(FR235999) derivative, 4c

SMILES: NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3ccccc3)cc12

InChI Key: InChIKey=GUYYFMCFEPDDFL-OAQYLSRUSA-N

Data: 1 KI

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 = 22929   

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
Adenosine deaminase (Homo sapiens (Human))	BDBM22929 (1-[(2R)-1-hydroxy-4-[6-(3-phenylpropanamido)-1H-in...) Show SMILES NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H27N5O3/c26-25(33)22-15-30(17-27-22)21(16-31)11-13-29-12-10-19-7-8-20(14-23(19)29)28-24(32)9-6-18-4-2-1-3-5-18/h1-5,7-8,10,12,14-15,17,21,31H,6,9,11,13,16H2,(H2,26,33)(H,28,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	30	-10.2	n/a	n/a	n/a	n/a	n/a	7.4	22
Fujisawa Pharmaceutical Co., Ltd.					Assay Description The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...				J Med Chem 47: 3730-43 (2004) Article DOI: 10.1021/jm0306374 BindingDB Entry DOI: 10.7270/Q2668BG0
					More data for this Ligand-Target Pair				3D Structure (crystal)