BDBM50514256 CHEMBL4439718

SMILES: CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1

InChI Key: InChIKey=PFSGEFYLEHABKV-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50514256   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514256 (CHEMBL4439718) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1 Show InChI InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514256 (CHEMBL4439718) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1 Show InChI InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50514256 (CHEMBL4439718) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1 Show InChI InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in channel current at -80 mV holding potential by whole cell patch clamp assay				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50514256 (CHEMBL4439718) Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1 Show InChI InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	527	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256
					More data for this Ligand-Target Pair