BDBM50253926 (2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL518345

SMILES: Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=VETJLOKKGTWBFO-UHFFFAOYSA-N

Data: 2 Kd

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 = 50253926   

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
Adenosine receptor A1 (Homo sapiens (human))	BDBM50253926 ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (human))	BDBM50253926 ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair