BDBM50354999 CHEMBL1834896

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O

InChI Key: InChIKey=PUZSAMLELIPZGH-KXDPPJBDSA-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 = 50354999   

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 (MOUSE)	BDBM50354999 (CHEMBL1834896) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r| Show InChI InChI=1S/C38H43N3O9/c1-39-13-11-33-25-18-3-5-20(42)27(25)47-29(33)35(7-9-37(33,44)22(39)15-18)31-41-24(17-46-31)49-36(32(41)50-35)8-10-38(45)23-16-19-4-6-21(43)28-26(19)34(38,30(36)48-28)12-14-40(23)2/h3-6,22-24,29-32,42-45H,7-17H2,1-2H3/t22-,23-,24+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mouse mu opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50354999 (CHEMBL1834896) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r| Show InChI InChI=1S/C38H43N3O9/c1-39-13-11-33-25-18-3-5-20(42)27(25)47-29(33)35(7-9-37(33,44)22(39)15-18)31-41-24(17-46-31)49-36(32(41)50-35)8-10-38(45)23-16-19-4-6-21(43)28-26(19)34(38,30(36)48-28)12-14-40(23)2/h3-6,22-24,29-32,42-45H,7-17H2,1-2H3/t22-,23-,24+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mouse delta opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50354999 (CHEMBL1834896) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@@H]2N3[C@H](CO[C@@H]13)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)c6O[C@@H]1[C@]2(CCN3C)c46)ccc5O |r| Show InChI InChI=1S/C38H43N3O9/c1-39-13-11-33-25-18-3-5-20(42)27(25)47-29(33)35(7-9-37(33,44)22(39)15-18)31-41-24(17-46-31)49-36(32(41)50-35)8-10-38(45)23-16-19-4-6-21(43)28-26(19)34(38,30(36)48-28)12-14-40(23)2/h3-6,22-24,29-32,42-45H,7-17H2,1-2H3/t22-,23-,24+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair