BDBM50422791 CHEMBL204480

SMILES: C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1

InChI Key: InChIKey=LSPFSEDULXVHTC-FXZPAHAQSA-N

Data: 3 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 = 50422791   

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 (GUINEA PIG)	BDBM50422791 (CHEMBL204480) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C32H39N3O3/c1-23-20-35(24(2)19-34(23)21-25-7-4-3-5-8-25)32(27-9-6-10-30(36)18-27)28-12-11-26-13-15-33(16-14-31(37)38)22-29(26)17-28/h3-12,17-18,23-24,32,36H,13-16,19-22H2,1-2H3,(H,37,38)/t23-,24+,32+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in myentric plexus muscle from guinea pig				Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50422791 (CHEMBL204480) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C32H39N3O3/c1-23-20-35(24(2)19-34(23)21-25-7-4-3-5-8-25)32(27-9-6-10-30(36)18-27)28-12-11-26-13-15-33(16-14-31(37)38)22-29(26)17-28/h3-12,17-18,23-24,32,36H,13-16,19-22H2,1-2H3,(H,37,38)/t23-,24+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50422791 (CHEMBL204480) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C32H39N3O3/c1-23-20-35(24(2)19-34(23)21-25-7-4-3-5-8-25)32(27-9-6-10-30(36)18-27)28-12-11-26-13-15-33(16-14-31(37)38)22-29(26)17-28/h3-12,17-18,23-24,32,36H,13-16,19-22H2,1-2H3,(H,37,38)/t23-,24+,32+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in myentric plexus muscle from guinea pig				Bioorg Med Chem Lett 16: 905-10 (2006) Article DOI: 10.1016/j.bmcl.2005.10.102 BindingDB Entry DOI: 10.7270/Q2930VG2
					More data for this Ligand-Target Pair