BDBM50149397 1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-((S)-cyclohexylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL120023

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=ONHHMRCXRCJFAN-GSDHBNRESA-N

Data: 2 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 2 hits for monomerid = 50149397   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50149397 (1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H38N4O4/c30-24(18-21-13-15-23(34)16-14-21)29(37)33-17-7-12-26(33)28(36)32-25(19-20-8-3-1-4-9-20)27(35)31-22-10-5-2-6-11-22/h1,3-4,8-9,13-16,22,24-26,34H,2,5-7,10-12,17-19,30H2,(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand				J Med Chem 47: 3591-9 (2004) Article DOI: 10.1021/jm030649p BindingDB Entry DOI: 10.7270/Q2W095DJ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50149397 (1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H38N4O4/c30-24(18-21-13-15-23(34)16-14-21)29(37)33-17-7-12-26(33)28(36)32-25(19-20-8-3-1-4-9-20)27(35)31-22-10-5-2-6-11-22/h1,3-4,8-9,13-16,22,24-26,34H,2,5-7,10-12,17-19,30H2,(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand				J Med Chem 47: 3591-9 (2004) Article DOI: 10.1021/jm030649p BindingDB Entry DOI: 10.7270/Q2W095DJ
					More data for this Ligand-Target Pair