BDBM50354993 CHEMBL1834898

SMILES: Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45

InChI Key: InChIKey=ASVHGPALAUWBSH-XSCFRSCTSA-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 = 50354993   

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)	BDBM50354993 (CHEMBL1834898) Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C46H55N3O9/c50-28-9-7-26-19-30-45(52)13-11-43(37-41(45,33(26)35(28)55-37)15-17-47(30)21-24-3-1-4-24)39-49-32(23-54-39)57-44(40(49)58-43)12-14-46(53)31-20-27-8-10-29(51)36-34(27)42(46,38(44)56-36)16-18-48(31)22-25-5-2-6-25/h7-10,24-25,30-32,37-40,50-53H,1-6,11-23H2/t30-,31-,32+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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)	BDBM50354993 (CHEMBL1834898) Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C46H55N3O9/c50-28-9-7-26-19-30-45(52)13-11-43(37-41(45,33(26)35(28)55-37)15-17-47(30)21-24-3-1-4-24)39-49-32(23-54-39)57-44(40(49)58-43)12-14-46(53)31-20-27-8-10-29(51)36-34(27)42(46,38(44)56-36)16-18-48(31)22-25-5-2-6-25/h7-10,24-25,30-32,37-40,50-53H,1-6,11-23H2/t30-,31-,32+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.0	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))	BDBM50354993 (CHEMBL1834898) Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r| Show InChI InChI=1S/C46H55N3O9/c50-28-9-7-26-19-30-45(52)13-11-43(37-41(45,33(26)35(28)55-37)15-17-47(30)21-24-3-1-4-24)39-49-32(23-54-39)57-44(40(49)58-43)12-14-46(53)31-20-27-8-10-29(51)36-34(27)42(46,38(44)56-36)16-18-48(31)22-25-5-2-6-25/h7-10,24-25,30-32,37-40,50-53H,1-6,11-23H2/t30-,31-,32+,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	176	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