BDBM50538008 CHEMBL4638732

SMILES: Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2

InChI Key: InChIKey=PVKSBMPVAXOXOX-MRALAVQDSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50538008   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50538008 (CHEMBL4638732) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9-,11+;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50538008 (CHEMBL4638732) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9-,11+;/m0./s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50538008 (CHEMBL4638732) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9-,11+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 2 min in presence of NADPH by LC-MS/MS analysis				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50538008 (CHEMBL4638732) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9-,11+;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 12 min in presence of NADPH by LC-MS/MS analysis				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair