BDBM50264566 CHEMBL4062024

SMILES: Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1

InChI Key: InChIKey=PKBVAYHRANDWGW-UHFFFAOYSA-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 = 50264566   

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 (Homo sapiens (Human))	BDBM50264566 (CHEMBL4062024) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50264566 (CHEMBL4062024) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264566 (CHEMBL4062024) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	429	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair