BDBM50108963 CHEMBL3597150

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)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=RXMAXDYUZOLCND-VZLLHDBGSA-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 = 50108963   

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))	BDBM50108963 (CHEMBL3597150) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)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/C49H75N9O16/c1-25(2)18-32(43(51)67)56-47(71)35(24-73-49-42(66)41(65)40(64)36(23-59)74-49)55-37(62)12-9-17-52-45(69)33(19-26(3)4)57-46(70)34(21-28-10-7-6-8-11-28)54-38(63)22-53-48(72)39(27(5)60)58-44(68)31(50)20-29-13-15-30(61)16-14-29/h6-8,10-11,13-16,25-27,31-36,39-42,49,59-61,64-66H,9,12,17-24,50H2,1-5H3,(H2,51,67)(H,52,69)(H,53,72)(H,54,63)(H,55,62)(H,56,71)(H,57,70)(H,58,68)/t27-,31+,32+,33+,34+,35+,36-,39+,40-,41+,42-,49-/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	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]-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))	BDBM50108963 (CHEMBL3597150) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)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/C49H75N9O16/c1-25(2)18-32(43(51)67)56-47(71)35(24-73-49-42(66)41(65)40(64)36(23-59)74-49)55-37(62)12-9-17-52-45(69)33(19-26(3)4)57-46(70)34(21-28-10-7-6-8-11-28)54-38(63)22-53-48(72)39(27(5)60)58-44(68)31(50)20-29-13-15-30(61)16-14-29/h6-8,10-11,13-16,25-27,31-36,39-42,49,59-61,64-66H,9,12,17-24,50H2,1-5H3,(H2,51,67)(H,52,69)(H,53,72)(H,54,63)(H,55,62)(H,56,71)(H,57,70)(H,58,68)/t27-,31+,32+,33+,34+,35+,36-,39+,40-,41+,42-,49-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	15	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))	BDBM50108963 (CHEMBL3597150) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)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/C49H75N9O16/c1-25(2)18-32(43(51)67)56-47(71)35(24-73-49-42(66)41(65)40(64)36(23-59)74-49)55-37(62)12-9-17-52-45(69)33(19-26(3)4)57-46(70)34(21-28-10-7-6-8-11-28)54-38(63)22-53-48(72)39(27(5)60)58-44(68)31(50)20-29-13-15-30(61)16-14-29/h6-8,10-11,13-16,25-27,31-36,39-42,49,59-61,64-66H,9,12,17-24,50H2,1-5H3,(H2,51,67)(H,52,69)(H,53,72)(H,54,63)(H,55,62)(H,56,71)(H,57,70)(H,58,68)/t27-,31+,32+,33+,34+,35+,36-,39+,40-,41+,42-,49-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	71	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