BDBM50133257 CHEMBL334369::[(2S,3R)-TMT1]DPDPE

SMILES: C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C

InChI Key: InChIKey=FKKHZZDLSPFFPR-AFRUZCBGSA-N

Data: 2 IC50  1 EC50

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 = 50133257   

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 (Homo sapiens (Human))	BDBM50133257 (CHEMBL334369 | [(2S,3R)-TMT1]DPDPE) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26-,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand				J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50133257 (CHEMBL334369 | [(2S,3R)-TMT1]DPDPE) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 using [3H]- [p-CIPhe4] DPDPE as radioligand				J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50133257 (CHEMBL334369 | [(2S,3R)-TMT1]DPDPE) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26-,27-/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	n/a	n/a	1.80	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...				J Med Chem 46: 4215-31 (2003) Article DOI: 10.1021/jm0303103 BindingDB Entry DOI: 10.7270/Q2JW8FM1
					More data for this Ligand-Target Pair