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  131 IC50  20 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 81939   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  6.70nMAssay Description:Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  8.60nMAssay Description:Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  76nMAssay Description:Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  456nMAssay Description:Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincris...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  412nMAssay Description:Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitax...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  522nMAssay Description:Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  3.90nMAssay Description:Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  8.90nMAssay Description:Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  86nMAssay Description:Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  195nMAssay Description:Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  77nMAssay Description:Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
China Medical University

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Affinity DataIC50:  708nMAssay Description:Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed