BDBM50350959 CHEMBL1818238

SMILES: O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)nc1

InChI Key: InChIKey=PUVQXHUXOFFILU-NQIIRXRSSA-N

Data: 2 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 2 hits for monomerid = 50350959   

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 (Homo sapiens (Human))	BDBM50350959 (CHEMBL1818238) Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)nc1 |r| Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-12-3-4-13-26)23-9-2-1-8-22(23)19-10-11-20(24-15-19)17-25-16-18-6-5-7-21(25)14-18/h1-2,8-11,15,18,21H,3-7,12-14,16-17H2/t18-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 54: 5868-77 (2011) Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50350959 (CHEMBL1818238) Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)nc1 |r| Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-12-3-4-13-26)23-9-2-1-8-22(23)19-10-11-20(24-15-19)17-25-16-18-6-5-7-21(25)14-18/h1-2,8-11,15,18,21H,3-7,12-14,16-17H2/t18-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 54: 5868-77 (2011) Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ
					More data for this Ligand-Target Pair