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SMILES: CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O

InChI Key: InChIKey=PBHBYYYIKRUVKK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 26928   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM26928 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...) Show SMILES CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM26928 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...) Show SMILES CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM26928 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...) Show SMILES CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM26928 (8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...) Show SMILES CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O Show InChI InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	379	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				Bioorg Med Chem Lett 19: 1164-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.092 BindingDB Entry DOI: 10.7270/Q2TT4P95
					More data for this Ligand-Target Pair