BDBM50353656 CHEMBL1829950

SMILES: Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1cc(Cl)ccc1C)c2=O)-c1ccccc1

InChI Key: InChIKey=PAQMVVQJFAZFCA-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50353656   

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 (Rattus norvegicus (rat))	BDBM50353656 (CHEMBL1829950) Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1cc(Cl)ccc1C)c2=O)-c1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c1-18-9-10-21(28)17-23(18)31-14-11-30(12-15-31)13-16-32-27(35)25-20(3)33(22-7-5-4-6-8-22)19(2)24(25)26(34)29-32/h4-10,17H,11-16H2,1-3H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 46: 4992-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.006 BindingDB Entry DOI: 10.7270/Q27S7P5W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50353656 (CHEMBL1829950) Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1cc(Cl)ccc1C)c2=O)-c1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c1-18-9-10-21(28)17-23(18)31-14-11-30(12-15-31)13-16-32-27(35)25-20(3)33(22-7-5-4-6-8-22)19(2)24(25)26(34)29-32/h4-10,17H,11-16H2,1-3H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting				Eur J Med Chem 46: 4992-9 (2011) Article DOI: 10.1016/j.ejmech.2011.08.006 BindingDB Entry DOI: 10.7270/Q27S7P5W
					More data for this Ligand-Target Pair