BDBM50102827 CHEMBL3339373

SMILES: [H][C@@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O

InChI Key: InChIKey=VBFLGDLOFOLPOG-HWRSHNTFSA-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 = 50102827   

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)	BDBM50102827 (CHEMBL3339373) Show SMILES [H][C@@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33| Show InChI InChI=1S/C31H35N3O4/c35-22-9-8-21-14-24-31-11-10-30(37,23-15-25(36)33(18-34(23)31)17-19-4-2-1-3-5-19)28-29(31,26(21)27(22)38-28)12-13-32(24)16-20-6-7-20/h1-5,8-9,20,23-24,28,35,37H,6-7,10-18H2/t23-,24?,28?,29?,30+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	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 mu opioid receptor in mouse brain membranes without cerebellum				Bioorg Med Chem Lett 24: 4980-3 (2014) Article DOI: 10.1016/j.bmcl.2014.09.029 BindingDB Entry DOI: 10.7270/Q2154JTJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50102827 (CHEMBL3339373) Show SMILES [H][C@@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33| Show InChI InChI=1S/C31H35N3O4/c35-22-9-8-21-14-24-31-11-10-30(37,23-15-25(36)33(18-34(23)31)17-19-4-2-1-3-5-19)28-29(31,26(21)27(22)38-28)12-13-32(24)16-20-6-7-20/h1-5,8-9,20,23-24,28,35,37H,6-7,10-18H2/t23-,24?,28?,29?,30+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	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 delta opioid receptor in mouse brain membranes without cerebellum				Bioorg Med Chem Lett 24: 4980-3 (2014) Article DOI: 10.1016/j.bmcl.2014.09.029 BindingDB Entry DOI: 10.7270/Q2154JTJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50102827 (CHEMBL3339373) Show SMILES [H][C@@]12CC(=O)N(Cc3ccccc3)CN1[C@]13CC[C@]2(O)C2Oc4c5c(CC1N(CC1CC1)CCC325)ccc4O |r,TLB:35:24:15:27.32.33,28:27:24.23.25:15,22:23:15:27.32.33,14:15:24.23.25:27.32.33,16:15:24.23.25:27.32.33| Show InChI InChI=1S/C31H35N3O4/c35-22-9-8-21-14-24-31-11-10-30(37,23-15-25(36)33(18-34(23)31)17-19-4-2-1-3-5-19)28-29(31,26(21)27(22)38-28)12-13-32(24)16-20-6-7-20/h1-5,8-9,20,23-24,28,35,37H,6-7,10-18H2/t23-,24?,28?,29?,30+,31+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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]U-69593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 24: 4980-3 (2014) Article DOI: 10.1016/j.bmcl.2014.09.029 BindingDB Entry DOI: 10.7270/Q2154JTJ
					More data for this Ligand-Target Pair