BDBM50188157 4-[(2S)-2-amino-3-{[(2S)-1-(4-hydroxyphenyl)-3-{methyl[(2R)-1-(methylamino)-3-phenylpropan-2-yl]amino}propan-2-yl](methyl)amino}propyl]phenol::CHEMBL212699

SMILES: CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=YFVWOMKVZLGFTF-IARZGTGTSA-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 = 50188157   

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))	BDBM50188157 (4-[(2S)-2-amino-3-{[(2S)-1-(4-hydroxyphenyl)-3-{me...) Show SMILES CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H42N4O2/c1-32-20-27(18-23-7-5-4-6-8-23)34(3)22-28(19-25-11-15-30(36)16-12-25)33(2)21-26(31)17-24-9-13-29(35)14-10-24/h4-16,26-28,32,35-36H,17-22,31H2,1-3H3/t26-,27+,28-/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	8.53E+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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50188157 (4-[(2S)-2-amino-3-{[(2S)-1-(4-hydroxyphenyl)-3-{me...) Show SMILES CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H42N4O2/c1-32-20-27(18-23-7-5-4-6-8-23)34(3)22-28(19-25-11-15-30(36)16-12-25)33(2)21-26(31)17-24-9-13-29(35)14-10-24/h4-16,26-28,32,35-36H,17-22,31H2,1-3H3/t26-,27+,28-/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	1.45E+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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50188157 (4-[(2S)-2-amino-3-{[(2S)-1-(4-hydroxyphenyl)-3-{me...) Show SMILES CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C30H42N4O2/c1-32-20-27(18-23-7-5-4-6-8-23)34(3)22-28(19-25-11-15-30(36)16-12-25)33(2)21-26(31)17-24-9-13-29(35)14-10-24/h4-16,26-28,32,35-36H,17-22,31H2,1-3H3/t26-,27+,28-/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	37	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