BDBM50369309 CHEMBL2369626

SMILES: C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O

InChI Key: InChIKey=JSDFJGGPTLMPEW-JXHPIZPXSA-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 = 50369309   

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))	BDBM50369309 (CHEMBL2369626) Show SMILES C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C57H73N9O20/c1-29(62-52(76)40(58)23-36-14-18-38(71)19-15-36)51(75)64-41(24-35-11-8-7-9-12-35)53(77)61-27-46(74)63-42(25-37-16-20-39(72)21-17-37)56(80)66-22-10-13-43(66)54(78)65-47(55(79)60-26-45(59)73)30(2)82-57-50(85-34(6)70)49(84-33(5)69)48(83-32(4)68)44(86-57)28-81-31(3)67/h7-9,11-12,14-21,29-30,40-44,47-50,57,71-72H,10,13,22-28,58H2,1-6H3,(H2,59,73)(H,60,79)(H,61,77)(H,62,76)(H,63,74)(H,64,75)(H,65,78)/t29-,30-,40+,41+,42+,43+,44+,47+,48+,49-,50+,57+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes				J Med Chem 40: 2948-52 (1997) Article DOI: 10.1021/jm970119r BindingDB Entry DOI: 10.7270/Q2BC406Q
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50369309 (CHEMBL2369626) Show SMILES C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C57H73N9O20/c1-29(62-52(76)40(58)23-36-14-18-38(71)19-15-36)51(75)64-41(24-35-11-8-7-9-12-35)53(77)61-27-46(74)63-42(25-37-16-20-39(72)21-17-37)56(80)66-22-10-13-43(66)54(78)65-47(55(79)60-26-45(59)73)30(2)82-57-50(85-34(6)70)49(84-33(5)69)48(83-32(4)68)44(86-57)28-81-31(3)67/h7-9,11-12,14-21,29-30,40-44,47-50,57,71-72H,10,13,22-28,58H2,1-6H3,(H2,59,73)(H,60,79)(H,61,77)(H,62,76)(H,63,74)(H,64,75)(H,65,78)/t29-,30-,40+,41+,42+,43+,44+,47+,48+,49-,50+,57+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes				J Med Chem 40: 2948-52 (1997) Article DOI: 10.1021/jm970119r BindingDB Entry DOI: 10.7270/Q2BC406Q
					More data for this Ligand-Target Pair