BDBM50149396 1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [2-phenyl-1-((S)-pyridin-3-ylcarbamoyl)-ethyl]-amide::CHEMBL332371

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1

InChI Key: InChIKey=UCJFKKFOEAOTGA-QKDODKLFSA-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 = 50149396   

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))	BDBM50149396 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C30H35N5O4/c1-19-14-23(36)15-20(2)24(19)17-25(31)30(39)35-13-7-11-27(35)29(38)34-26(16-21-8-4-3-5-9-21)28(37)33-22-10-6-12-32-18-22/h3-6,8-10,12,14-15,18,25-27,36H,7,11,13,16-17,31H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	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
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50149396 (1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C30H35N5O4/c1-19-14-23(36)15-20(2)24(19)17-25(31)30(39)35-13-7-11-27(35)29(38)34-26(16-21-8-4-3-5-9-21)28(37)33-22-10-6-12-32-18-22/h3-6,8-10,12,14-15,18,25-27,36H,7,11,13,16-17,31H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	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