null

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=CFAAVEWLIQGTCN-GVAUOCQISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50096720   

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))	BDBM50096720 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C30H41N5O7/c1-17(2)12-25(30(41)42)35-29(40)24(14-22-18(3)6-5-7-19(22)4)34-27(38)16-32-26(37)15-33-28(39)23(31)13-20-8-10-21(36)11-9-20/h5-11,17,23-25,36H,12-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]-DAMGO as radioligand.				Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50096720 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C30H41N5O7/c1-17(2)12-25(30(41)42)35-29(40)24(14-22-18(3)6-5-7-19(22)4)34-27(38)16-32-26(37)15-33-28(39)23(31)13-20-8-10-21(36)11-9-20/h5-11,17,23-25,36H,12-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity was determined towards Opioid receptor delta 1 in rat brain synaptosomes using [3H]-deltorphin II as radioligand.				Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50096720 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C30H41N5O7/c1-17(2)12-25(30(41)42)35-29(40)24(14-22-18(3)6-5-7-19(22)4)34-27(38)16-32-26(37)15-33-28(39)23(31)13-20-8-10-21(36)11-9-20/h5-11,17,23-25,36H,12-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against Opioid receptor delta 1 in mouse vas deferens				Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50096720 ((S)-2-[(R)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c(C)cccc1C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C30H41N5O7/c1-17(2)12-25(30(41)42)35-29(40)24(14-22-18(3)6-5-7-19(22)4)34-27(38)16-32-26(37)15-33-28(39)23(31)13-20-8-10-21(36)11-9-20/h5-11,17,23-25,36H,12-16,31H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)(H,35,40)(H,41,42)/t23-,24+,25-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	808	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description In vitro inhibitory activity was determined against Opioid receptor mu 1 in guinea pig ileum				Bioorg Med Chem Lett 11: 327-9 (2001) BindingDB Entry DOI: 10.7270/Q2571B8P
					More data for this Ligand-Target Pair