BDBM50246835 CHEMBL4077474

SMILES: OC[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1

InChI Key: InChIKey=HEQKENNULKMLBZ-SECBINFHSA-N

Data: 2 KI

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 = 50246835   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50246835 (CHEMBL4077474) Show SMILES OC[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r| Show InChI InChI=1S/C11H15ClN4O/c12-10-2-1-8(5-14-10)3-4-16-9(7-17)6-15-11(16)13/h1-2,5,9,17H,3-4,6-7H2,(H2,13,15)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs				J Med Chem 60: 10092-10104 (2017) Article DOI: 10.1021/acs.jmedchem.7b01250 BindingDB Entry DOI: 10.7270/Q2PG1V5M
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50246835 (CHEMBL4077474) Show SMILES OC[C@H]1CNC(=N)N1CCc1ccc(Cl)nc1 |r| Show InChI InChI=1S/C11H15ClN4O/c12-10-2-1-8(5-14-10)3-4-16-9(7-17)6-15-11(16)13/h1-2,5,9,17H,3-4,6-7H2,(H2,13,15)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs				J Med Chem 60: 10092-10104 (2017) Article DOI: 10.1021/acs.jmedchem.7b01250 BindingDB Entry DOI: 10.7270/Q2PG1V5M
					More data for this Ligand-Target Pair