BDBM50422798 CHEMBL201678

SMILES: C[C@@H]1CN([C@H](c2ccc3CN(CC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1

InChI Key: InChIKey=GRRGEIIPSQHREY-DGIFUFQNSA-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 = 50422798   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50422798 (CHEMBL201678) Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(CC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-21-16-33(22(2)15-32(21)17-23-7-4-3-5-8-23)30(24-9-6-10-28(34)14-24)25-11-12-26-18-31(20-29(35)36)19-27(26)13-25/h3-14,21-22,30,34H,15-20H2,1-2H3,(H,35,36)/t21-,22+,30+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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
Mu-type opioid receptor (GUINEA PIG)	BDBM50422798 (CHEMBL201678) Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(CC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-21-16-33(22(2)15-32(21)17-23-7-4-3-5-8-23)30(24-9-6-10-28(34)14-24)25-11-12-26-18-31(20-29(35)36)19-27(26)13-25/h3-14,21-22,30,34H,15-20H2,1-2H3,(H,35,36)/t21-,22+,30+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	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)	BDBM50422798 (CHEMBL201678) Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(CC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-21-16-33(22(2)15-32(21)17-23-7-4-3-5-8-23)30(24-9-6-10-28(34)14-24)25-11-12-26-18-31(20-29(35)36)19-27(26)13-25/h3-14,21-22,30,34H,15-20H2,1-2H3,(H,35,36)/t21-,22+,30+/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	0.501	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