BDBM50188168 4-[(2S)-3-{[(2S)-1-(benzylamino)-3-(4-hydroxyphenyl)propan-2-yl](methyl)amino}-2-(methylamino)propyl]phenol::CHEMBL212405

SMILES: CN[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1

InChI Key: InChIKey=LTQLAQMKBRHVMW-DQEYMECFSA-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 = 50188168   

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))	BDBM50188168 (4-[(2S)-3-{[(2S)-1-(benzylamino)-3-(4-hydroxypheny...) Show SMILES CN[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H35N3O2/c1-28-24(16-21-8-12-26(31)13-9-21)20-30(2)25(17-22-10-14-27(32)15-11-22)19-29-18-23-6-4-3-5-7-23/h3-15,24-25,28-29,31-32H,16-20H2,1-2H3/t24-,25-/m0/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	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]DPDE from delta opioid receptor				Bioorg Med Chem Lett 16: 4331-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.053 BindingDB Entry DOI: 10.7270/Q2028R47
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50188168 (4-[(2S)-3-{[(2S)-1-(benzylamino)-3-(4-hydroxypheny...) Show SMILES CN[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H35N3O2/c1-28-24(16-21-8-12-26(31)13-9-21)20-30(2)25(17-22-10-14-27(32)15-11-22)19-29-18-23-6-4-3-5-7-23/h3-15,24-25,28-29,31-32H,16-20H2,1-2H3/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate				Bioorg Med Chem Lett 16: 4331-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.053 BindingDB Entry DOI: 10.7270/Q2028R47
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50188168 (4-[(2S)-3-{[(2S)-1-(benzylamino)-3-(4-hydroxypheny...) Show SMILES CN[C@H](CN(C)[C@H](CNCc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H35N3O2/c1-28-24(16-21-8-12-26(31)13-9-21)20-30(2)25(17-22-10-14-27(32)15-11-22)19-29-18-23-6-4-3-5-7-23/h3-15,24-25,28-29,31-32H,16-20H2,1-2H3/t24-,25-/m0/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	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor				Bioorg Med Chem Lett 16: 4331-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.053 BindingDB Entry DOI: 10.7270/Q2028R47
					More data for this Ligand-Target Pair