BDBM50297298 (S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL554838

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=GUWAGEJINYNLRX-FMYROPPKSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50297298   

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))	BDBM50297298 ((S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidin...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)| Show InChI InChI=1S/C34H40N8O4/c1-19-14-23(43)15-20(2)24(19)17-25(35)33(46)42-18-22-9-4-3-8-21(22)16-29(42)32(45)41-28(12-7-13-38-34(36)37)30(44)31-39-26-10-5-6-11-27(26)40-31/h3-6,8-11,14-15,25,28-29,43H,7,12-13,16-18,35H2,1-2H3,(H,39,40)(H,41,45)(H4,36,37,38)/t25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50297298 ((S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidin...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)| Show InChI InChI=1S/C34H40N8O4/c1-19-14-23(43)15-20(2)24(19)17-25(35)33(46)42-18-22-9-4-3-8-21(22)16-29(42)32(45)41-28(12-7-13-38-34(36)37)30(44)31-39-26-10-5-6-11-27(26)40-31/h3-6,8-11,14-15,25,28-29,43H,7,12-13,16-18,35H2,1-2H3,(H,39,40)(H,41,45)(H4,36,37,38)/t25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50297298 ((S)-N-((S)-1-(1H-benzo[d]imidazol-2-yl)-5-guanidin...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:10.11,27.29,wD:23.26,(16.14,-49.27,;16.14,-50.81,;14.79,-51.6,;14.8,-53.16,;13.46,-53.93,;16.15,-53.92,;17.48,-53.13,;18.82,-53.9,;17.47,-51.59,;18.8,-50.82,;20.14,-51.59,;20.14,-53.13,;21.47,-50.82,;21.47,-49.28,;22.81,-51.59,;22.81,-53.13,;24.14,-53.89,;24.14,-55.44,;25.48,-56.21,;26.8,-55.44,;26.8,-53.89,;25.48,-53.13,;25.48,-51.59,;24.13,-50.81,;24.13,-49.27,;22.8,-48.5,;25.46,-48.5,;25.46,-46.96,;24.13,-46.19,;22.8,-46.96,;21.47,-46.19,;20.14,-46.96,;18.81,-46.19,;18.81,-44.65,;17.47,-46.96,;26.8,-46.19,;26.8,-44.65,;28.14,-46.96,;28.3,-48.5,;29.8,-48.82,;30.59,-50.14,;32.12,-50.14,;32.88,-48.81,;32.12,-47.47,;30.58,-47.49,;29.55,-46.34,)| Show InChI InChI=1S/C34H40N8O4/c1-19-14-23(43)15-20(2)24(19)17-25(35)33(46)42-18-22-9-4-3-8-21(22)16-29(42)32(45)41-28(12-7-13-38-34(36)37)30(44)31-39-26-10-5-6-11-27(26)40-31/h3-6,8-11,14-15,25,28-29,43H,7,12-13,16-18,35H2,1-2H3,(H,39,40)(H,41,45)(H4,36,37,38)/t25-,28-,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair