BDBM50324020 (S)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-3-(1H-benzo[d]imidazol-2-yl)propanoic acid::CHEMBL1213939

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=XHZHJSMIRRPOFA-TUSQITKMSA-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 = 50324020   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50324020 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C29H29N5O5/c30-21(13-17-9-11-20(35)12-10-17)29(39)34-16-19-6-2-1-5-18(19)14-25(34)28(38)33-24(15-26(36)37)27-31-22-7-3-4-8-23(22)32-27/h1-12,21,24-25,35H,13-16,30H2,(H,31,32)(H,33,38)(H,36,37)/t21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.177	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				Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50324020 ((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C29H29N5O5/c30-21(13-17-9-11-20(35)12-10-17)29(39)34-16-19-6-2-1-5-18(19)14-25(34)28(38)33-24(15-26(36)37)27-31-22-7-3-4-8-23(22)32-27/h1-12,21,24-25,35H,13-16,30H2,(H,31,32)(H,33,38)(H,36,37)/t21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	684	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				Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX
					More data for this Ligand-Target Pair