BDBM50126000 (R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-(2,6-dimethyl-phenyl)-ethyl]-amide::CHEMBL24059

SMILES: Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O

InChI Key: InChIKey=OELGUIBMBJLJPS-NXCFDTQHSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50126000   

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))	BDBM50126000 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-DAMGO from mu opioid receptor				Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50126000 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-deltorphin II from delta opioid receptor				Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50126000 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Ability of the compound to inhibit electrically induced contractions of mouse vas deferens having delta opioid receptors tested in vitro				Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50126000 ((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...) Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Ability of the compound to inhibit electrically induced contractions of guinea pig ileum having mu opioid receptors tested in vitro				Bioorg Med Chem Lett 13: 1269-72 (2003) BindingDB Entry DOI: 10.7270/Q2XS5TQ5
					More data for this Ligand-Target Pair