BDBM50399886 CHEMBL2180637

SMILES: CCCCCN(CCc1ccccc1)CCc1cccc(O)c1

InChI Key: InChIKey=CRDPGPNGVQWYOK-UHFFFAOYSA-N

Data: 6 KI  1 IC50  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 8 hits for monomerid = 50399886   

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))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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 incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	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 incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB UniProtKB/SwissProt 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]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+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 incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+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]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]ethylketocyclazocine from kappa opioid receptor in guinea pig brain				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	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	86	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 incubated for 60 mins by [35S]GTPgammaS binding assay				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair