BDBM50422792 CHEMBL202478

SMILES: COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1

InChI Key: InChIKey=VZHGAQSLJSYVIX-FXZPAHAQSA-N

Data: 4 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 = 50422792   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50422792 (CHEMBL202478) Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1 Show InChI InChI=1S/C32H39N3O3/c1-23-19-35(24(2)18-34(23)20-25-8-5-4-6-9-25)32(27-10-7-11-30(17-27)38-3)28-13-12-26-14-15-33(22-31(36)37)21-29(26)16-28/h4-13,16-17,23-24,32H,14-15,18-22H2,1-3H3,(H,36,37)/t23-,24+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity at human delta opioid receptor expressed in CHO cells				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)	BDBM50422792 (CHEMBL202478) Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1 Show InChI InChI=1S/C32H39N3O3/c1-23-19-35(24(2)18-34(23)20-25-8-5-4-6-9-25)32(27-10-7-11-30(17-27)38-3)28-13-12-26-14-15-33(22-31(36)37)21-29(26)16-28/h4-13,16-17,23-24,32H,14-15,18-22H2,1-3H3,(H,36,37)/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	2	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))	BDBM50422792 (CHEMBL202478) Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1 Show InChI InChI=1S/C32H39N3O3/c1-23-19-35(24(2)18-34(23)20-25-8-5-4-6-9-25)32(27-10-7-11-30(17-27)38-3)28-13-12-26-14-15-33(22-31(36)37)21-29(26)16-28/h4-13,16-17,23-24,32H,14-15,18-22H2,1-3H3,(H,36,37)/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	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)	BDBM50422792 (CHEMBL202478) Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1 Show InChI InChI=1S/C32H39N3O3/c1-23-19-35(24(2)18-34(23)20-25-8-5-4-6-9-25)32(27-10-7-11-30(17-27)38-3)28-13-12-26-14-15-33(22-31(36)37)21-29(26)16-28/h4-13,16-17,23-24,32H,14-15,18-22H2,1-3H3,(H,36,37)/t23-,24+,32+/m1/s1	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 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