BDBM50005557 CHEMBL4087761

SMILES: Cc1cccc(c1)C(=O)NCC1NCCc2ccccc12

InChI Key: InChIKey=BQWOEJSACOJEJO-JLVJUDLZSA-N

Data: 2 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 3 hits for monomerid = 50005557   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50005557 (CHEMBL4087761) Show SMILES Cc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C17H20N4O4/c1-21-12-7-8-13(21)15(17(23)24-2)14(9-12)25-16(22)10-3-5-11(6-4-10)19-20-18/h3-6,12-15H,7-9H2,1-2H3/t12-,13?,14+,15?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50005557 (CHEMBL4087761) Show SMILES Cc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C17H20N4O4/c1-21-12-7-8-13(21)15(17(23)24-2)14(9-12)25-16(22)10-3-5-11(6-4-10)19-20-18/h3-6,12-15H,7-9H2,1-2H3/t12-,13?,14+,15?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50005557 (CHEMBL4087761) Show SMILES Cc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C17H20N4O4/c1-21-12-7-8-13(21)15(17(23)24-2)14(9-12)25-16(22)10-3-5-11(6-4-10)19-20-18/h3-6,12-15H,7-9H2,1-2H3/t12-,13?,14+,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair