BDBM50194236 CHEMBL3950863

SMILES: Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1

InChI Key: InChIKey=DFHGRXJJUDXAEV-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50194236   

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))	BDBM50194236 (CHEMBL3950863) Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 4769-4774 (2016) Article DOI: 10.1016/j.bmcl.2016.08.031 BindingDB Entry DOI: 10.7270/Q2RJ4MD9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50194236 (CHEMBL3950863) Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 4769-4774 (2016) Article DOI: 10.1016/j.bmcl.2016.08.031 BindingDB Entry DOI: 10.7270/Q2RJ4MD9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50194236 (CHEMBL3950863) Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting				Bioorg Med Chem Lett 26: 4769-4774 (2016) Article DOI: 10.1016/j.bmcl.2016.08.031 BindingDB Entry DOI: 10.7270/Q2RJ4MD9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50194236 (CHEMBL3950863) Show SMILES Oc1ccc(CCN(CCc2ccccc2)CC2CC2)cc1 Show InChI InChI=1S/C20H25NO/c22-20-10-8-18(9-11-20)13-15-21(16-19-6-7-19)14-12-17-4-2-1-3-5-17/h1-5,8-11,19,22H,6-7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS assay				Bioorg Med Chem Lett 26: 4769-4774 (2016) Article DOI: 10.1016/j.bmcl.2016.08.031 BindingDB Entry DOI: 10.7270/Q2RJ4MD9
					More data for this Ligand-Target Pair