BindingDB logo
myBDB logout

PubMed code 26943020

Compile data set for download or QSAR
Found 65 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140829
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 197n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168154
PNG
(CHEMBL3805805)
Show SMILES N#Cc1cn(C2CC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24N6/c23-14-18-15-28(19-6-7-19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)9-8-17-4-2-1-3-5-17/h1-5,15-16,19H,6-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168154
PNG
(CHEMBL3805805)
Show SMILES N#Cc1cn(C2CC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H24N6/c23-14-18-15-28(19-6-7-19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)9-8-17-4-2-1-3-5-17/h1-5,15-16,19H,6-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 247n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168146
PNG
(CHEMBL3805902)
Show SMILES N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H24N6/c26-17-21-18-31(22-9-5-2-6-10-22)24-23(21)27-19-28-25(24)30-15-13-29(14-16-30)12-11-20-7-3-1-4-8-20/h1-10,18-19H,11-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140829
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168156
PNG
(CHEMBL3805049)
Show SMILES CCCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C22H26N6/c1-2-9-28-16-19(15-23)20-21(28)22(25-17-24-20)27-13-11-26(12-14-27)10-8-18-6-4-3-5-7-18/h3-7,16-17H,2,8-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 418n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168156
PNG
(CHEMBL3805049)
Show SMILES CCCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C22H26N6/c1-2-9-28-16-19(15-23)20-21(28)22(25-17-24-20)27-13-11-26(12-14-27)10-8-18-6-4-3-5-7-18/h3-7,16-17H,2,8-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 543n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168152
PNG
(CHEMBL3806254)
Show SMILES N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C28H30N6/c29-20-25-21-34(14-7-12-23-8-3-1-4-9-23)27-26(25)30-22-31-28(27)33-18-16-32(17-19-33)15-13-24-10-5-2-6-11-24/h1-6,8-11,21-22H,7,12-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 586n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168148
PNG
(CHEMBL3805055)
Show SMILES N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C26H26N6/c27-17-23-19-32(18-22-9-5-2-6-10-22)25-24(23)28-20-29-26(25)31-15-13-30(14-16-31)12-11-21-7-3-1-4-8-21/h1-10,19-20H,11-16,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 623n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168213
PNG
(CHEMBL3805746)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N6/c23-14-18-19-8-4-5-9-28(19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)15-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 636n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168162
PNG
(CHEMBL3805731)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C33H44N6/c34-24-29-30-32(39(28-16-10-3-4-11-17-28)31(29)27-14-8-1-2-9-15-27)33(36-25-35-30)38-22-20-37(21-23-38)19-18-26-12-6-5-7-13-26/h5-7,12-13,25,27-28H,1-4,8-11,14-23H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 643n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168213
PNG
(CHEMBL3805746)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N6/c23-14-18-19-8-4-5-9-28(19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)15-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 671n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168158
PNG
(CHEMBL3805352)
Show SMILES Cn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C20H22N6/c1-24-14-17(13-21)18-19(24)20(23-15-22-18)26-11-9-25(10-12-26)8-7-16-5-3-2-4-6-16/h2-6,14-15H,7-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168158
PNG
(CHEMBL3805352)
Show SMILES Cn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C20H22N6/c1-24-14-17(13-21)18-19(24)20(23-15-22-18)26-11-9-25(10-12-26)8-7-16-5-3-2-4-6-16/h2-6,14-15H,7-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 714n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168146
PNG
(CHEMBL3805902)
Show SMILES N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H24N6/c26-17-21-18-31(22-9-5-2-6-10-22)24-23(21)27-19-28-25(24)30-15-13-29(14-16-30)12-11-20-7-3-1-4-8-20/h1-10,18-19H,11-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168157
PNG
(CHEMBL3805878)
Show SMILES CCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C21H24N6/c1-2-26-15-18(14-22)19-20(26)21(24-16-23-19)27-12-10-25(11-13-27)9-8-17-6-4-3-5-7-17/h3-7,15-16H,2,8-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 789n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168155
PNG
(CHEMBL3806249)
Show SMILES CC(C)n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C22H26N6/c1-17(2)28-15-19(14-23)20-21(28)22(25-16-24-20)27-12-10-26(11-13-27)9-8-18-6-4-3-5-7-18/h3-7,15-17H,8-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 821n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168162
PNG
(CHEMBL3805731)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C33H44N6/c34-24-29-30-32(39(28-16-10-3-4-11-17-28)31(29)27-14-8-1-2-9-15-27)33(36-25-35-30)38-22-20-37(21-23-38)19-18-26-12-6-5-7-13-26/h5-7,12-13,25,27-28H,1-4,8-11,14-23H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 833n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168147
PNG
(CHEMBL3806106)
Show SMILES N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H22N6/c25-15-20-17-30(21-9-5-2-6-10-21)23-22(20)26-18-27-24(23)29-13-11-28(12-14-29)16-19-7-3-1-4-8-19/h1-10,17-18H,11-14,16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 866n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168149
PNG
(CHEMBL3806273)
Show SMILES N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H24N6/c26-15-22-18-31(17-21-9-5-2-6-10-21)24-23(22)27-19-28-25(24)30-13-11-29(12-14-30)16-20-7-3-1-4-8-20/h1-10,18-19H,11-14,16-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 876n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168151
PNG
(CHEMBL3805076)
Show SMILES N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H26N6/c27-17-23-19-32(12-11-21-7-3-1-4-8-21)25-24(23)28-20-29-26(25)31-15-13-30(14-16-31)18-22-9-5-2-6-10-22/h1-10,19-20H,11-16,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 910n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168152
PNG
(CHEMBL3806254)
Show SMILES N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C28H30N6/c29-20-25-21-34(14-7-12-23-8-3-1-4-9-23)27-26(25)30-22-31-28(27)33-18-16-32(17-19-33)15-13-24-10-5-2-6-11-24/h1-6,8-11,21-22H,7,12-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 956n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168161
PNG
(CHEMBL3805970)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 981n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168151
PNG
(CHEMBL3805076)
Show SMILES N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H26N6/c27-17-23-19-32(12-11-21-7-3-1-4-8-21)25-24(23)28-20-29-26(25)31-15-13-30(14-16-31)18-22-9-5-2-6-10-22/h1-10,19-20H,11-16,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 983n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168148
PNG
(CHEMBL3805055)
Show SMILES N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C26H26N6/c27-17-23-19-32(18-22-9-5-2-6-10-22)25-24(23)28-20-29-26(25)31-15-13-30(14-16-31)12-11-21-7-3-1-4-8-21/h1-10,19-20H,11-16,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168160
PNG
(CHEMBL3805701)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H46N6/c39-27-33-34-37(44(32-21-13-3-4-14-22-32)36(33)31-19-7-1-2-8-20-31)38(41-28-40-34)43-25-23-42(24-26-43)35(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h5-6,9-12,15-18,28,31-32,35H,1-4,7-8,13-14,19-26H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168150
PNG
(CHEMBL3805706)
Show SMILES N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C27H28N6/c28-19-24-20-33(14-12-23-9-5-2-6-10-23)26-25(24)29-21-30-27(26)32-17-15-31(16-18-32)13-11-22-7-3-1-4-8-22/h1-10,20-21H,11-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168157
PNG
(CHEMBL3805878)
Show SMILES CCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C21H24N6/c1-2-26-15-18(14-22)19-20(26)21(24-16-23-19)27-12-10-25(11-13-27)9-8-17-6-4-3-5-7-17/h3-7,15-16H,2,8-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168161
PNG
(CHEMBL3805970)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168211
PNG
(CHEMBL3805257)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N6/c29-19-23-24-13-7-8-14-34(24)27-25(23)30-20-31-28(27)33-17-15-32(16-18-33)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,20,26H,7-8,13-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168150
PNG
(CHEMBL3805706)
Show SMILES N#Cc1cn(CCc2ccccc2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C27H28N6/c28-19-24-20-33(14-12-23-9-5-2-6-10-23)26-25(24)29-21-30-27(26)32-17-15-31(16-18-32)13-11-22-7-3-1-4-8-22/h1-10,20-21H,11-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168147
PNG
(CHEMBL3806106)
Show SMILES N#Cc1cn(-c2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H22N6/c25-15-20-17-30(21-9-5-2-6-10-21)23-22(20)26-18-27-24(23)29-13-11-28(12-14-29)16-19-7-3-1-4-8-19/h1-10,17-18H,11-14,16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168155
PNG
(CHEMBL3806249)
Show SMILES CC(C)n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c12
Show InChI InChI=1S/C22H26N6/c1-17(2)28-15-19(14-23)20-21(28)22(25-16-24-20)27-12-10-26(11-13-27)9-8-18-6-4-3-5-7-18/h3-7,15-17H,8-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168211
PNG
(CHEMBL3805257)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N6/c29-19-23-24-13-7-8-14-34(24)27-25(23)30-20-31-28(27)33-17-15-32(16-18-33)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,20,26H,7-8,13-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168160
PNG
(CHEMBL3805701)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H46N6/c39-27-33-34-37(44(32-21-13-3-4-14-22-32)36(33)31-19-7-1-2-8-20-31)38(41-28-40-34)43-25-23-42(24-26-43)35(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h5-6,9-12,15-18,28,31-32,35H,1-4,7-8,13-14,19-26H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168153
PNG
(CHEMBL3805229)
Show SMILES N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H28N6/c28-18-24-20-33(13-7-12-22-8-3-1-4-9-22)26-25(24)29-21-30-27(26)32-16-14-31(15-17-32)19-23-10-5-2-6-11-23/h1-6,8-11,20-21H,7,12-17,19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168165
PNG
(CHEMBL3805730)
Show SMILES N#Cc1c2CCCCn2c2c(NCCCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5/c21-13-16-17-10-4-5-12-25(17)19-18(16)23-14-24-20(19)22-11-6-9-15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-12H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168210
PNG
(CHEMBL3806039)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N6/c22-14-17-18-8-4-5-9-27(18)20-19(17)23-15-24-21(20)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.56E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168149
PNG
(CHEMBL3806273)
Show SMILES N#Cc1cn(Cc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H24N6/c26-15-22-18-31(17-21-9-5-2-6-10-21)24-23(22)27-19-28-25(24)30-13-11-29(12-14-30)16-20-7-3-1-4-8-20/h1-10,18-19H,11-14,16-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.77E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168165
PNG
(CHEMBL3805730)
Show SMILES N#Cc1c2CCCCn2c2c(NCCCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5/c21-13-16-17-10-4-5-12-25(17)19-18(16)23-14-24-20(19)22-11-6-9-15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-12H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.84E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168209
PNG
(CHEMBL3806168)
Show SMILES CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C16H20N6/c1-20-6-8-21(9-7-20)16-15-14(18-11-19-16)12(10-17)13-4-2-3-5-22(13)15/h11H,2-9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168210
PNG
(CHEMBL3806039)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N6/c22-14-17-18-8-4-5-9-27(18)20-19(17)23-15-24-21(20)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-13H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168153
PNG
(CHEMBL3805229)
Show SMILES N#Cc1cn(CCCc2ccccc2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H28N6/c28-18-24-20-33(13-7-12-22-8-3-1-4-9-22)26-25(24)29-21-30-27(26)32-16-14-31(15-17-32)19-23-10-5-2-6-11-23/h1-6,8-11,20-21H,7,12-17,19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.15E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168209
PNG
(CHEMBL3806168)
Show SMILES CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C16H20N6/c1-20-6-8-21(9-7-20)16-15-14(18-11-19-16)12(10-17)13-4-2-3-5-22(13)15/h11H,2-9H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.25E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168161
PNG
(CHEMBL3805970)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.68E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140832
PNG
(4-Phenethylamino-6,7,8,9-tetrahydro-pyrimido[4,5-b...)
Show SMILES N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C19H19N5/c20-12-15-16-8-4-5-11-24(16)18-17(15)22-13-23-19(18)21-10-9-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168209
PNG
(CHEMBL3806168)
Show SMILES CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C16H20N6/c1-20-6-8-21(9-7-20)16-15-14(18-11-19-16)12(10-17)13-4-2-3-5-22(13)15/h11H,2-9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.06E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168210
PNG
(CHEMBL3806039)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N6/c22-14-17-18-8-4-5-9-27(18)20-19(17)23-15-24-21(20)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-13H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.91E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168165
PNG
(CHEMBL3805730)
Show SMILES N#Cc1c2CCCCn2c2c(NCCCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H21N5/c21-13-16-17-10-4-5-12-25(17)19-18(16)23-14-24-20(19)22-11-6-9-15-7-2-1-3-8-15/h1-3,7-8,14H,4-6,9-12H2,(H,22,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.07E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168163
PNG
(CHEMBL3805095)
Show SMILES N#Cc1c2CCCCn2c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H15N5/c18-10-13-14-8-4-5-9-22(14)16-15(13)19-11-20-17(16)21-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-9H2,(H,19,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.68E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50140829
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.19E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168213
PNG
(CHEMBL3805746)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N6/c23-14-18-19-8-4-5-9-28(19)21-20(18)24-16-25-22(21)27-12-10-26(11-13-27)15-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.24E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140832
PNG
(4-Phenethylamino-6,7,8,9-tetrahydro-pyrimido[4,5-b...)
Show SMILES N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C19H19N5/c20-12-15-16-8-4-5-11-24(16)18-17(15)22-13-23-19(18)21-10-9-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.37E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168160
PNG
(CHEMBL3805701)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H46N6/c39-27-33-34-37(44(32-21-13-3-4-14-22-32)36(33)31-19-7-1-2-8-20-31)38(41-28-40-34)43-25-23-42(24-26-43)35(29-15-9-5-10-16-29)30-17-11-6-12-18-30/h5-6,9-12,15-18,28,31-32,35H,1-4,7-8,13-14,19-26H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.71E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168164
PNG
(CHEMBL3805611)
Show SMILES N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H17N5/c19-10-14-15-8-4-5-9-23(15)17-16(14)21-12-22-18(17)20-11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168159
PNG
(CHEMBL3806236)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H40N6/c32-22-27-28-30(31(34-23-33-28)36-20-18-35(19-21-36)25-14-10-5-11-15-25)37(26-16-8-3-4-9-17-26)29(27)24-12-6-1-2-7-13-24/h5,10-11,14-15,23-24,26H,1-4,6-9,12-13,16-21H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168163
PNG
(CHEMBL3805095)
Show SMILES N#Cc1c2CCCCn2c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H15N5/c18-10-13-14-8-4-5-9-22(14)16-15(13)19-11-20-17(16)21-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-9H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.41E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168162
PNG
(CHEMBL3805731)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C33H44N6/c34-24-29-30-32(39(28-16-10-3-4-11-17-28)31(29)27-14-8-1-2-9-15-27)33(36-25-35-30)38-22-20-37(21-23-38)19-18-26-12-6-5-7-13-26/h5-7,12-13,25,27-28H,1-4,8-11,14-23H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.94E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168166
PNG
(CHEMBL3805068)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCNCC1
Show InChI InChI=1S/C15H18N6/c16-9-11-12-3-1-2-6-21(12)14-13(11)18-10-19-15(14)20-7-4-17-5-8-20/h10,17H,1-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168163
PNG
(CHEMBL3805095)
Show SMILES N#Cc1c2CCCCn2c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H15N5/c18-10-13-14-8-4-5-9-22(14)16-15(13)19-11-20-17(16)21-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-9H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168164
PNG
(CHEMBL3805611)
Show SMILES N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H17N5/c19-10-14-15-8-4-5-9-23(15)17-16(14)21-12-22-18(17)20-11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168211
PNG
(CHEMBL3805257)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N6/c29-19-23-24-13-7-8-14-34(24)27-25(23)30-20-31-28(27)33-17-15-32(16-18-33)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,20,26H,7-8,13-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168159
PNG
(CHEMBL3806236)
Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H40N6/c32-22-27-28-30(31(34-23-33-28)36-20-18-35(19-21-36)25-14-10-5-11-15-25)37(26-16-8-3-4-9-17-26)29(27)24-12-6-1-2-7-13-24/h5,10-11,14-15,23-24,26H,1-4,6-9,12-13,16-21H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))		BDBM50168164
PNG
(CHEMBL3805611)
Show SMILES N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C18H17N5/c19-10-14-15-8-4-5-9-23(15)17-16(14)21-12-22-18(17)20-11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50168166
PNG
(CHEMBL3805068)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCNCC1
Show InChI InChI=1S/C15H18N6/c16-9-11-12-3-1-2-6-21(12)14-13(11)18-10-19-15(14)20-7-4-17-5-8-20/h10,17H,1-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.73E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay

J Med Chem 59: 3018-33 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01644
BindingDB Entry DOI: 10.7270/Q2BG2QWN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%