BDBM50281371 CHEMBL4171368

SMILES: CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12

InChI Key: InChIKey=DFMXKQPRTISWSY-JTQLQIEISA-N

Data: 5 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 5 hits for monomerid = 50281371   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50281371 (CHEMBL4171368) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r| Show InChI InChI=1S/C15H22N4O2/c1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases-Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of 5-HT2A receptor (unknown origin)				J Med Chem 61: 6236-6246 (2018) Article DOI: 10.1021/acs.jmedchem.8b00643 BindingDB Entry DOI: 10.7270/Q2057JFF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50281371 (CHEMBL4171368) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r| Show InChI InChI=1S/C15H22N4O2/c1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases-Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 61: 6236-6246 (2018) Article DOI: 10.1021/acs.jmedchem.8b00643 BindingDB Entry DOI: 10.7270/Q2057JFF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50281371 (CHEMBL4171368) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r| Show InChI InChI=1S/C15H22N4O2/c1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases-Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 61: 6236-6246 (2018) Article DOI: 10.1021/acs.jmedchem.8b00643 BindingDB Entry DOI: 10.7270/Q2057JFF
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50281371 (CHEMBL4171368) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r| Show InChI InChI=1S/C15H22N4O2/c1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases-Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of radioligand binding to human ERG expressed in HEK293 cell membranes by scintillation counting method				J Med Chem 61: 6236-6246 (2018) Article DOI: 10.1021/acs.jmedchem.8b00643 BindingDB Entry DOI: 10.7270/Q2057JFF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50281371 (CHEMBL4171368) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc2cc(OC)ccc12 |r| Show InChI InChI=1S/C15H22N4O2/c1-3-4-10(7-8-20)17-14-12-6-5-11(21-2)9-13(12)18-15(16)19-14/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases-Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of dopamine D1 receptor (unknown origin)				J Med Chem 61: 6236-6246 (2018) Article DOI: 10.1021/acs.jmedchem.8b00643 BindingDB Entry DOI: 10.7270/Q2057JFF
					More data for this Ligand-Target Pair