BDBM50240951 CHEMBL4102256

SMILES: Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1

InChI Key: InChIKey=GCPYMRLAZUYXLA-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 = 50240951   

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))	BDBM50240951 (CHEMBL4102256) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1 Show InChI InChI=1S/C19H23NO2/c1-2-12-20(13-10-16-6-8-18(21)9-7-16)14-11-17-4-3-5-19(22)15-17/h2-9,15,21-22H,1,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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 method				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50240951 (CHEMBL4102256) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1 Show InChI InChI=1S/C19H23NO2/c1-2-12-20(13-10-16-6-8-18(21)9-7-16)14-11-17-4-3-5-19(22)15-17/h2-9,15,21-22H,1,10-14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	192	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 method				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50240951 (CHEMBL4102256) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1 Show InChI InChI=1S/C19H23NO2/c1-2-12-20(13-10-16-6-8-18(21)9-7-16)14-11-17-4-3-5-19(22)15-17/h2-9,15,21-22H,1,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50240951 (CHEMBL4102256) Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1 Show InChI InChI=1S/C19H23NO2/c1-2-12-20(13-10-16-6-8-18(21)9-7-16)14-11-17-4-3-5-19(22)15-17/h2-9,15,21-22H,1,10-14H2	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	248	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 binding assay				J Med Chem 60: 7579-7590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00981 BindingDB Entry DOI: 10.7270/Q21C202C
					More data for this Ligand-Target Pair