BDBM50457148 CHEMBL4204649

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)c2

InChI Key: InChIKey=OCMNZFAHJYMDOY-FTMHIQFLSA-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 = 50457148   

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))	BDBM50457148 (CHEMBL4204649) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)c2 |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-14-18-39(65)19-15-35)49(69)61-45-31-75-29-37-12-7-13-38(22-37)30-76-32-46(62-50(70)42(56)24-36-16-20-40(66)21-17-36)52(72)58-28-48(68)60-44(26-34-10-5-2-6-11-34)54(74)64-63-53(73)43(25-33-8-3-1-4-9-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	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 MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 858-863 (2017) Article DOI: 10.1021/acsmedchemlett.7b00210 BindingDB Entry DOI: 10.7270/Q2S1853J
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50457148 (CHEMBL4204649) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)c2 |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-14-18-39(65)19-15-35)49(69)61-45-31-75-29-37-12-7-13-38(22-37)30-76-32-46(62-50(70)42(56)24-36-16-20-40(66)21-17-36)52(72)58-28-48(68)60-44(26-34-10-5-2-6-11-34)54(74)64-63-53(73)43(25-33-8-3-1-4-9-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	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 DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method				ACS Med Chem Lett 8: 858-863 (2017) Article DOI: 10.1021/acsmedchemlett.7b00210 BindingDB Entry DOI: 10.7270/Q2S1853J
					More data for this Ligand-Target Pair