BDBM50106354 CHEMBL3596372

SMILES: Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O

InChI Key: InChIKey=FBQJOEBDBGIZOL-QCXVOOQVSA-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 = 50106354   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50106354 (CHEMBL3596372) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16| Show InChI InChI=1S/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18?,22-,23-,24+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	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 human DOR expressed in CHO cells				Bioorg Med Chem Lett 25: 2927-30 (2015) BindingDB Entry DOI: 10.7270/Q28C9Z0W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50106354 (CHEMBL3596372) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16| Show InChI InChI=1S/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18?,22-,23-,24+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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]U-69,593 from human KOR expressed in CHO cells				Bioorg Med Chem Lett 25: 2927-30 (2015) BindingDB Entry DOI: 10.7270/Q28C9Z0W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50106354 (CHEMBL3596372) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16| Show InChI InChI=1S/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18?,22-,23-,24+;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 human MOR expressed in CHO cells				Bioorg Med Chem Lett 25: 2927-30 (2015) BindingDB Entry DOI: 10.7270/Q28C9Z0W
					More data for this Ligand-Target Pair