BDBM50149379 1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-((S)-adamantan-2-ylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL120083

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1C2C[C@@H]3C[C@@H](C[C@H]1C3)C2

InChI Key: InChIKey=GOJXTKYLQRQDGD-BDHQYJNSSA-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 = 50149379   

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))	BDBM50149379 (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)NC1C2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:20.21,38.40,1.0,wD:16.18,34.43,36.39,TLB:39:38:40:34.33.35,30:31:33:36.40.35,30:31:40:34.33.35,THB:35:34:31:36.37.40,35:36:31:34.33.39,37:38:33:36.40.35,(-1.86,-8.18,;-1.85,-9.72,;-.51,-10.48,;.8,-9.72,;.8,-8.16,;2.13,-7.39,;3.48,-8.16,;4.8,-7.39,;3.48,-9.71,;2.15,-10.48,;-3.19,-10.48,;-4.52,-9.73,;-3.18,-12.04,;-4.42,-12.95,;-3.95,-14.41,;-2.41,-14.39,;-1.93,-12.93,;-.47,-12.45,;.45,-11.09,;.68,-13.49,;2.14,-13,;2.45,-11.48,;3.92,-11.01,;4.24,-9.51,;5.7,-9.02,;6.85,-10.04,;6.53,-11.55,;5.06,-12.04,;3.29,-14.02,;2.98,-15.53,;4.75,-13.53,;6.25,-13.22,;6.82,-11.9,;7.01,-13.51,;8.19,-14.58,;9.57,-13.93,;9.31,-12.31,;8.62,-13.58,;7.36,-14.22,;7.48,-15.98,;8.19,-11.27,)| Show InChI InChI=1S/C33H42N4O4/c34-27(18-21-8-10-26(38)11-9-21)33(41)37-12-4-7-29(37)32(40)35-28(19-20-5-2-1-3-6-20)31(39)36-30-24-14-22-13-23(16-24)17-25(30)15-22/h1-3,5-6,8-11,22-25,27-30,38H,4,7,12-19,34H2,(H,35,40)(H,36,39)/t22-,23+,24-,25?,27-,28-,29-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	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))	BDBM50149379 (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)NC1C2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:20.21,38.40,1.0,wD:16.18,34.43,36.39,TLB:39:38:40:34.33.35,30:31:33:36.40.35,30:31:40:34.33.35,THB:35:34:31:36.37.40,35:36:31:34.33.39,37:38:33:36.40.35,(-1.86,-8.18,;-1.85,-9.72,;-.51,-10.48,;.8,-9.72,;.8,-8.16,;2.13,-7.39,;3.48,-8.16,;4.8,-7.39,;3.48,-9.71,;2.15,-10.48,;-3.19,-10.48,;-4.52,-9.73,;-3.18,-12.04,;-4.42,-12.95,;-3.95,-14.41,;-2.41,-14.39,;-1.93,-12.93,;-.47,-12.45,;.45,-11.09,;.68,-13.49,;2.14,-13,;2.45,-11.48,;3.92,-11.01,;4.24,-9.51,;5.7,-9.02,;6.85,-10.04,;6.53,-11.55,;5.06,-12.04,;3.29,-14.02,;2.98,-15.53,;4.75,-13.53,;6.25,-13.22,;6.82,-11.9,;7.01,-13.51,;8.19,-14.58,;9.57,-13.93,;9.31,-12.31,;8.62,-13.58,;7.36,-14.22,;7.48,-15.98,;8.19,-11.27,)| Show InChI InChI=1S/C33H42N4O4/c34-27(18-21-8-10-26(38)11-9-21)33(41)37-12-4-7-29(37)32(40)35-28(19-20-5-2-1-3-6-20)31(39)36-30-24-14-22-13-23(16-24)17-25(30)15-22/h1-3,5-6,8-11,22-25,27-30,38H,4,7,12-19,34H2,(H,35,40)(H,36,39)/t22-,23+,24-,25?,27-,28-,29-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.56E+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