BDBM50108969 CHEMBL3597083

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O

InChI Key: InChIKey=ZZMLDIIIAOTFLN-POTQIHQISA-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 = 50108969   

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))	BDBM50108969 (CHEMBL3597083) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C45H67N7O19/c1-20(2)13-26(41(65)51-28(39(47)63)19-68-44-37(62)35(60)38(30(18-54)70-44)71-45-36(61)34(59)33(58)29(17-53)69-45)50-42(66)27(15-22-7-5-4-6-8-22)49-31(57)16-48-43(67)32(21(3)55)52-40(64)25(46)14-23-9-11-24(56)12-10-23/h4-12,20-21,25-30,32-38,44-45,53-56,58-62H,13-19,46H2,1-3H3,(H2,47,63)(H,48,67)(H,49,57)(H,50,66)(H,51,65)(H,52,64)/t21-,25+,26+,27+,28+,29-,30-,32+,33-,34+,35-,36-,37-,38-,44-,45+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 5728-41 (2015) BindingDB Entry DOI: 10.7270/Q2KH0Q33
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108969 (CHEMBL3597083) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C45H67N7O19/c1-20(2)13-26(41(65)51-28(39(47)63)19-68-44-37(62)35(60)38(30(18-54)70-44)71-45-36(61)34(59)33(58)29(17-53)69-45)50-42(66)27(15-22-7-5-4-6-8-22)49-31(57)16-48-43(67)32(21(3)55)52-40(64)25(46)14-23-9-11-24(56)12-10-23/h4-12,20-21,25-30,32-38,44-45,53-56,58-62H,13-19,46H2,1-3H3,(H2,47,63)(H,48,67)(H,49,57)(H,50,66)(H,51,65)(H,52,64)/t21-,25+,26+,27+,28+,29-,30-,32+,33-,34+,35-,36-,37-,38-,44-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis				J Med Chem 58: 5728-41 (2015) BindingDB Entry DOI: 10.7270/Q2KH0Q33
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108969 (CHEMBL3597083) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C45H67N7O19/c1-20(2)13-26(41(65)51-28(39(47)63)19-68-44-37(62)35(60)38(30(18-54)70-44)71-45-36(61)34(59)33(58)29(17-53)69-45)50-42(66)27(15-22-7-5-4-6-8-22)49-31(57)16-48-43(67)32(21(3)55)52-40(64)25(46)14-23-9-11-24(56)12-10-23/h4-12,20-21,25-30,32-38,44-45,53-56,58-62H,13-19,46H2,1-3H3,(H2,47,63)(H,48,67)(H,49,57)(H,50,66)(H,51,65)(H,52,64)/t21-,25+,26+,27+,28+,29-,30-,32+,33-,34+,35-,36-,37-,38-,44-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis				J Med Chem 58: 5728-41 (2015) BindingDB Entry DOI: 10.7270/Q2KH0Q33
					More data for this Ligand-Target Pair