BDBM50311523 CHEMBL1081555::N-(4-chlorobenzyl)-2-((2S,6R,E)-5,14-dioxo-2-phenyl-1-oxa-4-azacyclotetradec-8-en-6-yl)acetamide

SMILES: Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCCCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1

InChI Key: InChIKey=UKJMKJLWGIJYMN-NJPHHMIOSA-N

Data: 1 Kd

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 = 50311523   

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
Sonic hedgehog protein (Homo sapiens (Human))	BDBM50311523 (CHEMBL1081555 | N-(4-chlorobenzyl)-2-((2S,6R,E)-5,...) Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCCCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1 |r,t:12| Show InChI InChI=1S/C27H31ClN2O4/c28-23-15-13-20(14-16-23)18-29-25(31)17-22-11-5-2-1-3-8-12-26(32)34-24(19-30-27(22)33)21-9-6-4-7-10-21/h2,4-7,9-10,13-16,22,24H,1,3,8,11-12,17-19H2,(H,29,31)(H,30,33)/b5-2+/t22-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Binding affinity to recombinant Shh N-terminal peptide by surface plasma resonance				Bioorg Med Chem Lett 19: 6319-25 (2009) Article DOI: 10.1016/j.bmcl.2009.09.089 BindingDB Entry DOI: 10.7270/Q2WW7HST
					More data for this Ligand-Target Pair