BDBM50240947 CHEMBL4086783

SMILES: Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1

InChI Key: InChIKey=BGMYKCNSSRUILA-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 = 50240947   

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))	BDBM50240947 (CHEMBL4086783) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1 Show InChI InChI=1S/C22H29NO2/c24-21-9-3-7-18(15-21)11-13-23(17-20-5-1-2-6-20)14-12-19-8-4-10-22(25)16-19/h3-4,7-10,15-16,20,24-25H,1-2,5-6,11-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.310	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))	BDBM50240947 (CHEMBL4086783) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1 Show InChI InChI=1S/C22H29NO2/c24-21-9-3-7-18(15-21)11-13-23(17-20-5-1-2-6-20)14-12-19-8-4-10-22(25)16-19/h3-4,7-10,15-16,20,24-25H,1-2,5-6,11-14,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	584	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))	BDBM50240947 (CHEMBL4086783) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1 Show InChI InChI=1S/C22H29NO2/c24-21-9-3-7-18(15-21)11-13-23(17-20-5-1-2-6-20)14-12-19-8-4-10-22(25)16-19/h3-4,7-10,15-16,20,24-25H,1-2,5-6,11-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.78E+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))	BDBM50240947 (CHEMBL4086783) Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1 Show InChI InChI=1S/C22H29NO2/c24-21-9-3-7-18(15-21)11-13-23(17-20-5-1-2-6-20)14-12-19-8-4-10-22(25)16-19/h3-4,7-10,15-16,20,24-25H,1-2,5-6,11-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	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