BDBM50149382 1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [2-phenyl-1-((S)-quinolin-8-ylcarbamoyl)-ethyl]-amide::CHEMBL333350

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=ZBVYRMZLONJXKM-BKHJTQGXSA-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 = 50149382   

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))	BDBM50149382 (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)Nc1cccc2cccnc12 Show InChI InChI=1S/C34H37N5O4/c1-21-17-25(40)18-22(2)26(21)20-27(35)34(43)39-16-8-14-30(39)33(42)38-29(19-23-9-4-3-5-10-23)32(41)37-28-13-6-11-24-12-7-15-36-31(24)28/h3-7,9-13,15,17-18,27,29-30,40H,8,14,16,19-20,35H2,1-2H3,(H,37,41)(H,38,42)/t27-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	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))	BDBM50149382 (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)Nc1cccc2cccnc12 Show InChI InChI=1S/C34H37N5O4/c1-21-17-25(40)18-22(2)26(21)20-27(35)34(43)39-16-8-14-30(39)33(42)38-29(19-23-9-4-3-5-10-23)32(41)37-28-13-6-11-24-12-7-15-36-31(24)28/h3-7,9-13,15,17-18,27,29-30,40H,8,14,16,19-20,35H2,1-2H3,(H,37,41)(H,38,42)/t27-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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