BDBM50424107 CHEMBL2315356

SMILES: CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1

InChI Key: InChIKey=TVLWJKGBWRZVKD-ZPIQPQQVSA-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 = 50424107   

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))	BDBM50424107 (CHEMBL2315356) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	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]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)	BDBM50424107 (CHEMBL2315356) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]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)	BDBM50424107 (CHEMBL2315356) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/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))	BDBM50424107 (CHEMBL2315356) Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r| Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/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	32	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