null

SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC

InChI Key InChIKey=JXLYSJRDGCGARV-CFWMRBGOSA-N

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50012278   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  100nMAssay Description:High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity modelMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23B60VGPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.30E+3nMAssay Description:Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23B60VGPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+3nMAssay Description:TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in membranes from CEM/VLB100 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28K7B50PubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6N3XPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.50E+4nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP05N6PubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.86E+4nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6N3XPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  3.65E+4nMAssay Description:TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N300T9PubMed
TargetAmine oxidase [flavin-containing] B(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  7.70E+4nMAssay Description:Inhibition of bovine liver MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P26Z45PubMed
TargetAmine oxidase [flavin-containing] B(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  7.70E+4nMAssay Description:Inhibitory activity of the compound against Monoamine oxidase B isolated from beef liver mitochondria was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20R9NCDPubMed
TargetTubulin beta-2B chain(Bos taurus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+5nMAssay Description:Binding constant at colchicine site of bovine brain tubulinMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+5nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BZ67B1PubMed