BDBM50149400 (S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-(adamantan-1-ylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL120530

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=USGGMEBKJSOXKM-SCGIPALHSA-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 = 50149400   

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))	BDBM50149400 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:35:39:33.32.38,THB:34:33:39:35.40.36| Show InChI InChI=1S/C33H42N4O4/c34-27(16-22-8-10-26(38)11-9-22)32(41)37-12-4-7-29(37)31(40)35-28(17-21-5-2-1-3-6-21)30(39)36-33-18-23-13-24(19-33)15-25(14-23)20-33/h1-3,5-6,8-11,23-25,27-29,38H,4,7,12-20,34H2,(H,35,40)(H,36,39)/t23-,24+,25-,27-,28-,29-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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))	BDBM50149400 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:35:39:33.32.38,THB:34:33:39:35.40.36| Show InChI InChI=1S/C33H42N4O4/c34-27(16-22-8-10-26(38)11-9-22)32(41)37-12-4-7-29(37)31(40)35-28(17-21-5-2-1-3-6-21)30(39)36-33-18-23-13-24(19-33)15-25(14-23)20-33/h1-3,5-6,8-11,23-25,27-29,38H,4,7,12-20,34H2,(H,35,40)(H,36,39)/t23-,24+,25-,27-,28-,29-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.26E+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