BDBM50196819 CHEMBL3954374

SMILES: CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1c(C)nnc1C

InChI Key: InChIKey=WWJUPYULDQGZNH-DQEYMECFSA-N

Data: 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 2 hits for monomerid = 50196819   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50196819 (CHEMBL3954374) Show SMILES CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1c(C)nnc1C |r| Show InChI InChI=1S/C25H29Cl2N5O/c1-16-28-29-17(2)32(16)19-5-7-20(8-6-19)33-25-22-13-18(26)14-23(27)21(22)15-24(25)31-10-4-9-30(3)11-12-31/h5-8,13-14,24-25H,4,9-12,15H2,1-3H3/t24-,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 3 (Homo sapiens (Human))	BDBM50196819 (CHEMBL3954374) Show SMILES CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)-n1c(C)nnc1C |r| Show InChI InChI=1S/C25H29Cl2N5O/c1-16-28-29-17(2)32(16)19-5-7-20(8-6-19)33-25-22-13-18(26)14-23(27)21(22)15-24(25)31-10-4-9-30(3)11-12-31/h5-8,13-14,24-25H,4,9-12,15H2,1-3H3/t24-,25-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay				J Med Chem 59: 8812-8829 (2016) Article DOI: 10.1021/acs.jmedchem.6b00624 BindingDB Entry DOI: 10.7270/Q2FX7CDJ
					More data for this Ligand-Target Pair