BDBM50417584 CHEMBL1642742

SMILES: NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1

InChI Key: InChIKey=MHMZXSWPNPTRJO-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 = 50417584   

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))	BDBM50417584 (CHEMBL1642742) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1 |t:23| Show InChI InChI=1S/C25H31N3O/c26-25(29)22-10-13-24-21(17-22)7-4-16-28(24)23-11-8-20(9-12-23)18-27-15-14-19-5-2-1-3-6-19/h5,8-13,17,27H,1-4,6-7,14-16,18H2,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50417584 (CHEMBL1642742) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1 |t:23| Show InChI InChI=1S/C25H31N3O/c26-25(29)22-10-13-24-21(17-22)7-4-16-28(24)23-11-8-20(9-12-23)18-27-15-14-19-5-2-1-3-6-19/h5,8-13,17,27H,1-4,6-7,14-16,18H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50417584 (CHEMBL1642742) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1 |t:23| Show InChI InChI=1S/C25H31N3O/c26-25(29)22-10-13-24-21(17-22)7-4-16-28(24)23-11-8-20(9-12-23)18-27-15-14-19-5-2-1-3-6-19/h5,8-13,17,27H,1-4,6-7,14-16,18H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair