BDBM50530224 CHEMBL4552618

SMILES: [H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1

InChI Key: InChIKey=NKHNTAYDCXZLFL-UFGYURQFSA-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 = 50530224   

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 (Rattus norvegicus (Rat))	BDBM50530224 (CHEMBL4552618) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1 |r,TLB:10:7:3.2:6,THB:9:8:3.2:6| Show InChI InChI=1S/C12H15ClN2/c13-10-4-3-9(6-15-10)11-7-1-2-8(5-7)12(11)14/h3-4,6-8,11-12H,1-2,5,14H2/t7-,8+,11+,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50530224 (CHEMBL4552618) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@H]([C@@H]2N)c1ccc(Cl)nc1 |r,TLB:10:7:3.2:6,THB:9:8:3.2:6| Show InChI InChI=1S/C12H15ClN2/c13-10-4-3-9(6-15-10)11-7-1-2-8(5-7)12(11)14/h3-4,6-8,11-12H,1-2,5,14H2/t7-,8+,11+,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry				J Med Chem 62: 1887-1901 (2019) Article DOI: 10.1021/acs.jmedchem.8b01372
					More data for this Ligand-Target Pair