BDBM50039183 CHEMBL72850::{(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-propionylamino}-acetic acid

SMILES: CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1

InChI Key: InChIKey=UPNUIXSCZBYVBB-PSWPWZSKSA-N

Data: 3 KI  3 Kd

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 6 hits for monomerid = 50039183   

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 (Rattus norvegicus (rat))	BDBM50039183 (CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...) Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity towards mu receptor in presence of [3H]-NAL radioligand				J Med Chem 37: 2262-5 (1994) BindingDB Entry DOI: 10.7270/Q2XP73ZB
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50039183 (CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...) Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity towards delta receptor in rat brain homogenates using [3H]-D-Ala2-D-Leu3-enkephalin as radioligand				J Med Chem 37: 2262-5 (1994) BindingDB Entry DOI: 10.7270/Q2XP73ZB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50039183 (CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...) Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity towards kappa receptor in presence of [3H]-EKC radioligand				J Med Chem 37: 2262-5 (1994) BindingDB Entry DOI: 10.7270/Q2XP73ZB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50039183 (CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...) Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for its antagonist activity against kappa receptor using U-69,593 as radioligand in isolated guinea pig ileum				J Med Chem 37: 2262-5 (1994) BindingDB Entry DOI: 10.7270/Q2XP73ZB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50039183 (CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...) Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for its antagonist activity against mu receptor using DAMGO as radioligand in isolated guinea pig ileum				J Med Chem 37: 2262-5 (1994) BindingDB Entry DOI: 10.7270/Q2XP73ZB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50039183 (CHEMBL72850 | {(S)-2-Benzyl-3-[4-(3-hydroxy-phenyl...) Show SMILES CC1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18?,20-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for its antagonist activity against (DPDE)delta receptor in mouse vas deferens				J Med Chem 37: 2262-5 (1994) BindingDB Entry DOI: 10.7270/Q2XP73ZB
					More data for this Ligand-Target Pair