BDBM50149385 (S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-phenethylcarbamoyl-2-phenyl-ethyl)-amide::CHEMBL332196

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=HNBPXXKJMFWAFN-DTXPUJKBSA-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 = 50149385   

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))	BDBM50149385 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H40N4O4/c1-22-18-26(38)19-23(2)27(22)21-28(34)33(41)37-17-9-14-30(37)32(40)36-29(20-25-12-7-4-8-13-25)31(39)35-16-15-24-10-5-3-6-11-24/h3-8,10-13,18-19,28-30,38H,9,14-17,20-21,34H2,1-2H3,(H,35,39)(H,36,40)/t28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	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))	BDBM50149385 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H40N4O4/c1-22-18-26(38)19-23(2)27(22)21-28(34)33(41)37-17-9-14-30(37)32(40)36-29(20-25-12-7-4-8-13-25)31(39)35-16-15-24-10-5-3-6-11-24/h3-8,10-13,18-19,28-30,38H,9,14-17,20-21,34H2,1-2H3,(H,35,39)(H,36,40)/t28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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