BDBM50424109 CHEMBL2315358

SMILES: CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1

InChI Key: InChIKey=LUMVBXIWHDSGJT-HPBQREGUSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50424109   

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))	BDBM50424109 (CHEMBL2315358) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.507	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]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50424109 (CHEMBL2315358) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	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 after 1 hr by liquid scintillation counting analy...				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50424109 (CHEMBL2315358) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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 after 1 hr by liquid scintillation counting an...				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50424109 (CHEMBL2315358) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair