BDBM50108964 CHEMBL3597088

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

InChI Key: InChIKey=SLBDTDWDFNPFLS-SZBLEYPGSA-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 = 50108964   

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))	BDBM50108964 (CHEMBL3597088) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	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))	BDBM50108964 (CHEMBL3597088) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	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))	BDBM50108964 (CHEMBL3597088) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C43H65N9O11/c1-24(2)18-31(38(45)58)50-42(62)34(23-53)49-35(56)12-9-17-46-40(60)32(19-25(3)4)51-41(61)33(21-27-10-7-6-8-11-27)48-36(57)22-47-43(63)37(26(5)54)52-39(59)30(44)20-28-13-15-29(55)16-14-28/h6-8,10-11,13-16,24-26,30-34,37,53-55H,9,12,17-23,44H2,1-5H3,(H2,45,58)(H,46,60)(H,47,63)(H,48,57)(H,49,56)(H,50,62)(H,51,61)(H,52,59)/t26-,30+,31+,32+,33+,34+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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