BDBM50083166 (S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid adamantan-1-ylamide::CHEMBL433541

SMILES: CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=SKJYBEQFKWHPED-PCLSVLQBSA-N

Data: 3 KI

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 = 50083166   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50083166 ((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34| Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.				J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50083166 ((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34| Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.				J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50083166 ((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34| Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor mu 1 from rat brain synaptosomal preparations by [3H]-DAGO displacement.				J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG
					More data for this Ligand-Target Pair