BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1644 hits Enz. Inhib. hit(s) with Target = 'P-glycoprotein 1 (Pgp/MDR1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50121978
PNG
(2-(6-Amino-3-imino-3H-xanthen-9-yl)-benzoic acid m...)
Show SMILES COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12
Show InChI InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
100n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show 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
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
100n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
100n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay 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...


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
100n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay 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...


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115974
PNG
(CHEMBL3612170)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
120n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115973
PNG
(CHEMBL3612151)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
120n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
200n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50420182
PNG
(CHEMBL2074650)
Show SMILES C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
210n/an/an/an/an/an/an/an/a



Universit£ Paris Nord

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Hydroxydoxorubicin efflux in K562/Adr cells


Eur J Pharmacol 391: 207-16 (2000)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115977
PNG
(CHEMBL3612153)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C28H32ClN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
220n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115978
PNG
(CHEMBL3612172)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C28H32ClN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
220n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50088574
PNG
(CHEMBL3577218)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@]2(C)[C@H](C[C@@H]3[C@@H](ON4C(=O)CCC4=O)[C@]12OC3(C)C)OC(=O)c1ccccc1
Show InChI InChI=1/C35H39NO10/c1-20-18-25(43-31(40)22-12-8-6-9-13-22)30(42-21(2)37)34(5)26(44-32(41)23-14-10-7-11-15-23)19-24-29(35(20,34)46-33(24,3)4)45-36-27(38)16-17-28(36)39/h6-15,20,24-26,29-30H,16-19H2,1-5H3/t20-,24-,25+,26+,29-,30+,34-,35-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
290n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50005628
PNG
((S) Verapamil | (S)-5-((3,4-dimethoxyphenethyl)(me...)
Show SMILES COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
300n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115971
PNG
(CHEMBL3612150)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C29H35N3O5S/c1-7-31(8-2)12-9-13-32-28(34)24(17-19-15-22(35-4)26(37-6)23(16-19)36-5)38-29(32)25-20-14-18(3)10-11-21(20)30-27(25)33/h10-11,14-17H,7-9,12-13H2,1-6H3,(H,30,33)/b24-17-,29-25+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
320n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115972
PNG
(CHEMBL3612169)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C29H35N3O5S/c1-7-31(8-2)12-9-13-32-28(34)24(17-19-15-22(35-4)26(37-6)23(16-19)36-5)38-29(32)25-20-14-18(3)10-11-21(20)30-27(25)33/h10-11,14-17H,7-9,12-13H2,1-6H3,(H,30,33)/b24-17-,29-25-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
320n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353597
PNG
(CHEMBL1829396)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)OC(=O)c1ccoc1
Show InChI InChI=1S/C38H40O13/c1-22(39)46-21-37-29(49-34(43)26-16-17-45-20-26)18-27-30(50-33(42)25-14-10-7-11-15-25)38(37,51-35(27,3)4)36(5,44)19-28(31(37)47-23(2)40)48-32(41)24-12-8-6-9-13-24/h6-17,20,27-31,44H,18-19,21H2,1-5H3/t27-,28+,29+,30-,31+,36+,37-,38+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
340n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353602
PNG
(CHEMBL1829522)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C36H38O11/c1-21(37)43-29-26(44-30(38)22-12-8-6-9-13-22)19-34(4,41)36-28(46-31(39)23-14-10-7-11-15-23)25(33(2,3)47-36)18-27(35(29,36)5)45-32(40)24-16-17-42-20-24/h6-17,20,25-29,41H,18-19H2,1-5H3/t25-,26+,27+,28-,29+,34+,35-,36+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
380n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353600
PNG
(CHEMBL1829520)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Show InChI InChI=1S/C35H40O12/c1-20(36)42-19-34-27(45-30(39)23-13-9-7-10-14-23)17-25-28(46-31(40)24-15-11-8-12-16-24)35(34,47-32(25,4)5)33(6,41)18-26(43-21(2)37)29(34)44-22(3)38/h7-16,25-29,41H,17-19H2,1-6H3/t25-,26+,27+,28-,29+,33+,34-,35+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
390n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50275947
PNG
((5S,14R,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...)
Show SMILES COc1ccc2[C@H]3[C@@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21
Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
420n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50088576
PNG
(CHEMBL3577215)
Show SMILES CC(=O)O[C@H]1C[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2O)[C@H](OC(=O)\C=C\c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]3(C)[C@H]1OC(C)=O
Show InChI InChI=1/C35H40O11/c1-20(36)42-24-19-33(5,41)35-28(39)26(32(3,4)46-35)27(44-25(38)18-17-22-13-9-7-10-14-22)30(34(35,6)29(24)43-21(2)37)45-31(40)23-15-11-8-12-16-23/h7-18,24,26-30,39,41H,19H2,1-6H3/b18-17+/t24-,26+,27-,28+,29-,30-,33-,34-,35-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
420n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50206310
PNG
(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC
Show InChI InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
440n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells


Pharm Res 19: 765-72 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353599
PNG
(CHEMBL1829518)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Show InChI InChI=1S/C33H38O11/c1-19(34)40-18-32-25(42-28(37)21-12-8-6-9-13-21)16-23-26(43-29(38)22-14-10-7-11-15-22)33(32,44-30(23,3)4)31(5,39)17-24(36)27(32)41-20(2)35/h6-15,23-27,36,39H,16-18H2,1-5H3/t23-,24+,25+,26-,27+,31+,32-,33+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
470n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115975
PNG
(CHEMBL3612152)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2cc(F)ccc12
Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-10-9-18(29)16-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
470n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115976
PNG
(CHEMBL3612171)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2cc(F)ccc12
Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-10-9-18(29)16-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
470n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50116013
PNG
(CHEMBL3612141)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C26H27N3O4S/c1-3-28(4-2)12-7-13-29-25(31)22(15-17-10-11-20-21(14-17)33-16-32-20)34-26(29)23-18-8-5-6-9-19(18)27-24(23)30/h5-6,8-11,14-15H,3-4,7,12-13,16H2,1-2H3,(H,27,30)/b22-15-,26-23+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
480n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50116014
PNG
(CHEMBL3612160)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C26H27N3O4S/c1-3-28(4-2)12-7-13-29-25(31)22(15-17-10-11-20-21(14-17)33-16-32-20)34-26(29)23-18-8-5-6-9-19(18)27-24(23)30/h5-6,8-11,14-15H,3-4,7,12-13,16H2,1-2H3,(H,27,30)/b22-15-,26-23-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
480n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50275948
PNG
((4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetram...)
Show SMILES COc1ccc2[C@H]3[C@@H](OCc2c1)C(C)(C)OC1=C3C(=O)C2=C([C@@H]3[C@@H](COc4cc(OC)ccc34)C(C)(C)O2)C1=O
Show InChI InChI=1S/C32H32O8/c1-31(2)20-14-37-21-12-17(36-6)8-10-19(21)22(20)24-26(33)29-25(27(34)28(24)39-31)23-18-9-7-16(35-5)11-15(18)13-38-30(23)32(3,4)40-29/h7-12,20,22-23,30H,13-14H2,1-6H3/t20-,22+,23-,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
510n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353601
PNG
(CHEMBL1829521)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1
Show InChI InChI=1S/C31H36O14/c1-16(32)40-15-30-23(43-26(35)19-7-9-38-13-19)11-21-24(44-27(36)20-8-10-39-14-20)31(30,45-28(21,4)5)29(6,37)12-22(41-17(2)33)25(30)42-18(3)34/h7-10,13-14,21-25,37H,11-12,15H2,1-6H3/t21-,22+,23+,24-,25+,29+,30-,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
510n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353604
PNG
(CHEMBL1829527)
Show SMILES CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3
Show InChI InChI=1S/C31H36O9/c1-19(32)37-23-17-29(4,35)31-16-22(28(2,3)40-31)15-24(38-25(33)12-11-20-9-7-6-8-10-20)30(31,5)26(23)39-27(34)21-13-14-36-18-21/h6-14,18,22-24,26,35H,15-17H2,1-5H3/b12-11+/t22?,23-,24+,26+,29+,30-,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
570n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221858
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-12-[(fura...)
Show SMILES CCCCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1
Show InChI InChI=1S/C32H42O11/c1-7-8-9-14-39-23-18-30(5,36)32-25(42-28(35)22-13-11-16-38-22)20(29(3,4)43-32)17-24(31(32,6)26(23)40-19(2)33)41-27(34)21-12-10-15-37-21/h10-13,15-16,20,23-26,36H,7-9,14,17-18H2,1-6H3/t20-,23+,24+,25-,26+,30-,31-,32+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
570n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221830
PNG
(CHEMBL394980 | nicotinic acid (1S,2R,4S,5R,6R,7S,9...)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OCc4ccccc4)[C@]1(OC3(C)C)[C@](C)(O)C[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)OCc1ccccc1
Show InChI InChI=1S/C39H45NO10/c1-25(41)47-24-38-32(45-22-27-13-8-6-9-14-27)19-30-33(46-23-28-15-10-7-11-16-28)39(38,50-36(30,3)4)37(5,44)20-31(34(38)48-26(2)42)49-35(43)29-17-12-18-40-21-29/h6-18,21,30-34,44H,19-20,22-24H2,1-5H3/t30-,31+,32+,33-,34+,37-,38-,39+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
580n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353598
PNG
(CHEMBL1829397)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1
Show InChI InChI=1S/C33H38O13/c1-18(34)41-17-32-25(44-29(38)22-12-13-40-16-22)14-23-26(45-28(37)21-10-8-7-9-11-21)33(32,46-30(23,4)5)31(6,39)15-24(42-19(2)35)27(32)43-20(3)36/h7-13,16,23-27,39H,14-15,17H2,1-6H3/t23-,24+,25+,26-,27+,31+,32-,33+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
590n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
600n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50088575
PNG
(CHEMBL3577217)
Show SMILES CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)\C=C/c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@](C)(O)[C@@]13OC2(C)C)OC(C)=O
Show InChI InChI=1/C35H40O10/c1-21(36)41-25-19-20-33(5,40)35-29(42-22(2)37)27(32(3,4)45-35)28(43-26(38)18-17-23-13-9-7-10-14-23)30(34(25,35)6)44-31(39)24-15-11-8-12-16-24/h7-18,25,27-30,40H,19-20H2,1-6H3/b18-17-/t25-,27+,28-,29+,30-,33-,34-,35-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
610n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221873
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5,12-bis(acetyloxy)-6-[...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
630n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50353603
PNG
(CHEMBL1829524)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@H](C[C@@H]3C[C@]12OC3(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C31H36O10/c1-17-24(37-18(2)32)25(38-19(3)33)26(40-28(35)21-12-13-36-16-21)30(6)23(39-27(34)20-10-8-7-9-11-20)14-22-15-31(17,30)41-29(22,4)5/h7-13,16-17,22-26H,14-15H2,1-6H3/t17-,22?,23+,24-,25-,26+,30-,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
640n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221866
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-4-(benzoy...)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1)OC(=O)c1ccccc1
Show InChI InChI=1S/C34H36O12/c1-19(35)42-27-24(43-28(36)20-11-7-6-8-12-20)18-32(4,39)34-26(45-30(38)23-14-10-16-41-23)21(31(2,3)46-34)17-25(33(27,34)5)44-29(37)22-13-9-15-40-22/h6-16,21,24-27,39H,17-18H2,1-5H3/t21-,24+,25+,26-,27+,32-,33-,34+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
700n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221823
PNG
(CHEMBL234334 | nicotinic acid (1S,2R,4S,5R,6R,7S,9...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2cccnc2)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]12OC3(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C39H41NO11/c1-23-19-30(48-36(45)28-17-12-18-40-21-28)33(47-25(3)42)38(22-46-24(2)41)31(49-34(43)26-13-8-6-9-14-26)20-29-32(39(23,38)51-37(29,4)5)50-35(44)27-15-10-7-11-16-27/h6-18,21,23,29-33H,19-20,22H2,1-5H3/t23-,29-,30+,31+,32-,33+,38-,39-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
710n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115968
PNG
(CHEMBL3612168)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
730n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115962
PNG
(CHEMBL3612149)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
730n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221872
PNG
((1R,2R,3S,4S,5R,6R,7R,8S,9S)-3,4-bis(acetyloxy)-7,...)
Show SMILES CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@]23C[C@@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3
Show InChI InChI=1S/C40H42O12/c1-23(41)47-30-32(51-36(45)27-20-14-9-15-21-27)38(5)31(50-35(44)26-18-12-8-13-19-26)29(49-34(43)25-16-10-7-11-17-25)28-22-40(38,52-37(28,3)4)39(6,46)33(30)48-24(2)42/h7-21,28-33,46H,22H2,1-6H3/t28?,29-,30-,31-,32-,33-,38+,39+,40+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
730n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50275945
PNG
((1R,2R,4R,7bR,9R,11aR)-2,5,5,9,12,12-Hexamethyl-1,...)
Show SMILES C[C@@H]1CC[C@@H]2[C@@H](C1)C1=C(OC2(C)C)C(=O)C2=C(OC(C)(C)[C@@H]3CC[C@@H](C)C[C@@H]23)C1=O
Show InChI InChI=1S/C26H36O4/c1-13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-25(17,3)4)16-12-14(2)8-10-18(16)26(5,6)30-24/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17-,18-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
770n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50088577
PNG
(CHEMBL3577214)
Show SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](C[C@](C)(O)[C@]11OC(C)(C)[C@@H]([C@H]1OC(=O)c1ccccc1)[C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)OC(C)=O
Show InChI InChI=1/C37H42O14/c1-20(38)45-19-36-29(48-23(4)41)26(46-21(2)39)18-35(7,44)37(36)30(49-32(42)24-14-10-8-11-15-24)27(34(5,6)51-37)28(47-22(3)40)31(36)50-33(43)25-16-12-9-13-17-25/h8-17,26-31,44H,18-19H2,1-7H3/t26-,27+,28-,29-,30+,31-,35-,36-,37-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
780n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221831
PNG
(CHEMBL394284 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O
Show InChI InChI=1S/C36H54O11/c1-8-9-10-11-12-13-14-15-16-19-29(39)46-30-25-21-28(45-32(40)26-18-17-20-42-26)35(7)31(44-24(3)38)27(43-23(2)37)22-34(6,41)36(30,35)47-33(25,4)5/h17-18,20,25,27-28,30-31,41H,8-16,19,21-22H2,1-7H3/t25-,27+,28+,30-,31+,34-,35-,36+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
800n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221825
PNG
((1S,2R,4S,5R,6S,7R,8S,9R,12R)-4,12-bis(acetyloxy)-...)
Show SMILES CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O
Show InChI InChI=1S/C40H42O12/c1-23(41)47-28-22-38(5,46)40-32(48-24(2)42)29(37(3,4)52-40)30(49-34(43)25-16-10-7-11-17-25)33(51-36(45)27-20-14-9-15-21-27)39(40,6)31(28)50-35(44)26-18-12-8-13-19-26/h7-21,28-33,46H,22H2,1-6H3/t28-,29+,30-,31-,32+,33-,38+,39-,40-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
910n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50116015
PNG
(CHEMBL3612142)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C27H29N3O4S/c1-4-29(5-2)11-6-12-30-26(32)23(15-18-8-10-21-22(14-18)34-16-33-21)35-27(30)24-19-13-17(3)7-9-20(19)28-25(24)31/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,28,31)/b23-15-,27-24+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
940n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50116016
PNG
(CHEMBL3612161)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C27H29N3O4S/c1-4-29(5-2)11-6-12-30-26(32)23(15-18-8-10-21-22(14-18)34-16-33-21)35-27(30)24-19-13-17(3)7-9-20(19)28-25(24)31/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,28,31)/b23-15-,27-24-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
940n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221856
PNG
(CHEMBL412860 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)C(C)(C)C
Show InChI InChI=1S/C29H40O11/c1-15(30)36-19-14-27(8,34)29-21(39-24(33)25(3,4)5)17(26(6,7)40-29)13-20(28(29,9)22(19)37-16(2)31)38-23(32)18-11-10-12-35-18/h10-12,17,19-22,34H,13-14H2,1-9H3/t17-,19+,20+,21-,22+,27-,28-,29+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
960n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
970n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells


Mol Pharmacol 61: 964-73 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50221857
PNG
(CHEMBL395650 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCO[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C34H44O10/c1-7-8-12-17-40-27-23-19-26(43-30(37)24-16-13-18-39-24)33(6)28(41-21(2)35)25(42-29(36)22-14-10-9-11-15-22)20-32(5,38)34(27,33)44-31(23,3)4/h9-11,13-16,18,23,25-28,38H,7-8,12,17,19-20H2,1-6H3/t23-,25+,26+,27-,28+,32-,33-,34+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50115961
PNG
(CHEMBL3612167)
Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(F)cc2F)s\c1=C1/C(=O)Nc2cc(F)ccc12
Show InChI InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(12-15-6-7-16(26)13-19(15)28)34-25(31)22-18-9-8-17(27)14-20(18)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-12-,25-22-
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



The First Affiliated Hospital of Dalian Medical University

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry


Eur J Med Chem 101: 126-32 (2015)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1644 total )  |  Next  |  Last  >>
Jump to: