BDBM50402017 CHEMBL2205412

SMILES: CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1

InChI Key: InChIKey=VDNRQMJJQGAIOG-MJICBCHGSA-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 = 50402017   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50402017 (CHEMBL2205412) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9| Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25+,27+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.451	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-69,593 from kappa opioid receptor in guinea pig cerebellum membranes				Bioorg Med Chem Lett 22: 7711-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.101 BindingDB Entry DOI: 10.7270/Q22B905B
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50402017 (CHEMBL2205412) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9| Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25+,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.49	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 whole brain membranes without cerebellum				Bioorg Med Chem Lett 22: 7711-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.101 BindingDB Entry DOI: 10.7270/Q22B905B
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50402017 (CHEMBL2205412) Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1)C(=O)\C=C\c1ccoc1 |r,t:9| Show InChI InChI=1S/C28H38N2O4/c1-29(26(32)7-4-20-9-13-34-18-20)22-8-10-28(33)25-14-21-5-6-23(31)15-24(21)27(28,16-22)11-12-30(25)17-19-2-3-19/h4,7,9,13,18-19,22-23,25,31,33H,2-3,5-6,8,10-12,14-17H2,1H3/b7-4+/t22-,23-,25+,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.66	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 whole brain membranes without cerebellum				Bioorg Med Chem Lett 22: 7711-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.101 BindingDB Entry DOI: 10.7270/Q22B905B
					More data for this Ligand-Target Pair