BDBM50199365 (E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl-15-propyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione::CHEMBL214935

SMILES: CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C

InChI Key: InChIKey=CXNVASKCTNQIAR-WTKIFITDSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50199365   

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))	BDBM50199365 ((E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C |t:32| Show InChI InChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	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
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50199365 ((E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C |t:32| Show InChI InChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	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 MOTR				J Med Chem 49: 7190-7 (2006) Article DOI: 10.1021/jm0606600 BindingDB Entry DOI: 10.7270/Q2251JZH
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50199365 ((E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C |t:32| Show InChI InChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay				Bioorg Med Chem Lett 17: 4187-90 (2007) Article DOI: 10.1016/j.bmcl.2007.05.043 BindingDB Entry DOI: 10.7270/Q2GF0T62
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50199365 ((E)-(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC1=O)C(C)C |t:32| Show InChI InChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Activity at human MOTR expressed in CHO cells assessed as inhibition of motilin-induced calcium release				J Med Chem 49: 7190-7 (2006) Article DOI: 10.1021/jm0606600 BindingDB Entry DOI: 10.7270/Q2251JZH
					More data for this Ligand-Target Pair