BDBM50231828 CHEMBL4086190

SMILES: OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2

InChI Key: InChIKey=AADURMDVQBQCAB-HIFPYCRASA-N

Data: 2 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 2 hits for monomerid = 50231828   

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))	BDBM50231828 (CHEMBL4086190) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2 |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-13-15-27(44)16-14-24)35(48)40-20-30(45)41-29(19-23-9-6-5-7-10-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-8-11-25(17-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50231828 (CHEMBL4086190) Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2cccc(CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1C(O)=O)c2 |r| Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-13-15-27(44)16-14-24)35(48)40-20-30(45)41-29(19-23-9-6-5-7-10-23)34(47)43-32(36(49)50)38(3,4)52-22-26-12-8-11-25(17-26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara"G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 449-454 (2017) BindingDB Entry DOI: 10.7270/Q22F7QP1
					More data for this Ligand-Target Pair