BDBM50005628 (S) Verapamil::(S)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile::2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile::2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile(verapamil)::CHEMBL36148::VERAPAMIL::verapamil-S

SMILES: CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC

InChI Key: InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N

Data: 4 KI  5 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

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 10 hits for monomerid = 50005628   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Multidrug resistance-associated protein 1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50005628 (verapamil-S | 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair