BDBM50214263 1-{[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,12-trioxo-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecin-11-yl]methyl}-2-cyanoguanidine::CHEMBL411408

SMILES: CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C(N)NC#N)NC1=O

InChI Key: InChIKey=MWJWEERXCDHPDT-RMTZWNOUSA-N

Data: 1 KI

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 = 50214263   

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
Motilin receptor (Homo sapiens (Human))	BDBM50214263 (1-{[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,12-...) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C(N)NC#N)NC1=O |w:34.35| Show InChI InChI=1S/C30H39ClN8O4/c1-19(2)26-29(42)38-24(17-36-30(33)37-18-32)27(40)35-12-6-9-21-8-3-4-11-25(21)43-14-13-34-23(28(41)39-26)16-20-7-5-10-22(31)15-20/h3-5,7-8,10-11,15,19,23-24,26,34H,6,9,12-14,16-17H2,1-2H3,(H,35,40)(H,38,42)(H,39,41)(H3,33,36,37)/t23-,24+,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-motilin from human motilin receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 4187-90 (2007) Article DOI: 10.1016/j.bmcl.2007.05.043 BindingDB Entry DOI: 10.7270/Q2GF0T62
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