BDBM81939 CAS_52-53-9::NSC_62969::VERAPAMIL

SMILES: COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

InChI Key: InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N

Data: 17 KI  136 IC50  20 EC50

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 173 hits for monomerid = 81939   

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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.53E+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 bd-verapamil (Mouse)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	n/a	22.5
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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ATP-binding cassette sub-family C member 4 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.07E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.76E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.13E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Pig)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.20E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	575	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.24E+5	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.89E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	446	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	740	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	150	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.78E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	28	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.15E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.01E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.04E+4	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	18	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.20E+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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	530	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	810	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)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM81939 (NSC_62969 | VERAPAMIL | CAS_52-53-9) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair