Found 28 hits with Last Name = 'takesako' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369565
(CHEMBL1790683)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#8]-[#6](=O)\[#6](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6](-[#6])-[#6])-[#7](-[#6])-[#6]-1=O)=[#6](\[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6] Show InChI InChI=1S/C60H90N8O10/c1-17-39(11)47-58(75)65(14)48(36(5)6)53(70)61-43(32-35(3)4)56(73)67(16)50(38(9)10)60(77)78-51(40(12)18-2)59(76)66(15)49(37(7)8)54(71)62-44(33-41-26-21-19-22-27-41)55(72)64(13)46(34-42-28-23-20-24-29-42)57(74)68-31-25-30-45(68)52(69)63-47/h19-24,26-29,35-37,39-40,43-49,51H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t39-,40-,43-,44-,45-,46-,47-,48-,49-,51+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369557
(CHEMBL1790680)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)C(N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49+,50?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369564
(CHEMBL1790681)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49+,50-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369570
(CHEMBL1790684)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)[C@@H](C)CC Show InChI InChI=1S/C57H86N8O10/c1-15-37(9)46-56(73)63(13)47(35(5)6)51(68)58-41(30-34(3)4)53(70)61(11)33-45(66)75-49(38(10)16-2)57(74)64(14)48(36(7)8)52(69)59-42(31-39-24-19-17-20-25-39)54(71)62(12)44(32-40-26-21-18-22-27-40)55(72)65-29-23-28-43(65)50(67)60-46/h17-22,24-27,34-38,41-44,46-49H,15-16,23,28-33H2,1-14H3,(H,58,68)(H,59,69)(H,60,67)/t37-,38-,41-,42-,43-,44-,46-,47-,48-,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369561
(CHEMBL1790685)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)C(C(C)CO)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-16-38(9)47-58(76)65(13)48(36(5)6)53(71)61-43(31-35(3)4)56(74)67(15)50(40(11)34-69)60(78)79-51(39(10)17-2)59(77)66(14)49(37(7)8)54(72)62-44(32-41-25-20-18-21-26-41)55(73)64(12)46(33-42-27-22-19-23-28-42)57(75)68-30-24-29-45(68)52(70)63-47/h18-23,25-28,35-40,43-51,69H,16-17,24,29-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,40?,43-,44-,45-,46-,47-,48-,49-,50?,51+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369551
(CHEMBL1790690)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)C(C)C Show InChI InChI=1S/C59H90N8O11/c1-17-38(10)45-56(74)64(14)46(35(4)5)51(69)60-41(31-34(2)3)54(72)66(16)49(59(11,12)77)58(76)78-48(37(8)9)57(75)65(15)47(36(6)7)52(70)61-42(32-39-25-20-18-21-26-39)53(71)63(13)44(33-40-27-22-19-23-28-40)55(73)67-30-24-29-43(67)50(68)62-45/h18-23,25-28,34-38,41-49,77H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t38-,41-,42-,43-,44-,45-,46-,47-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369558
(CHEMBL1790700)Show SMILES CC[C@H](C)[C@H]1OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)C(NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)(C)O Show InChI InChI=1S/C59H90N8O11/c1-17-38(10)48-57(75)65(15)47(37(8)9)52(70)61-42(32-39-25-20-18-21-26-39)53(71)63(13)44(33-40-27-22-19-23-28-40)55(73)67-30-24-29-43(67)50(68)62-45(35(4)5)56(74)64(14)46(36(6)7)51(69)60-41(31-34(2)3)54(72)66(16)49(58(76)78-48)59(11,12)77/h18-23,25-28,34-38,41-49,77H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t38-,41-,42-,43-,44-,45?,46-,47-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369547
(CHEMBL1790679)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(O)c2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(11)45-57(75)64(13)46(35(5)6)53(71)61-42(32-34(3)4)55(73)66(15)48(37(9)10)60(78)79-51(39(12)18-2)59(77)65(14)47(36(7)8)54(72)62-43(33-40-26-21-19-22-27-40)56(74)67(16)49(50(69)41-28-23-20-24-29-41)58(76)68-31-25-30-44(68)52(70)63-45/h19-24,26-29,34-39,42-51,69H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,42-,43-,44-,45-,46-,47-,48?,49-,50?,51+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369548
(CHEMBL1790682)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)C2(OC2(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)[C@@H](C)CC Show InChI InChI=1S/C60H90N8O11/c1-17-38(9)46-56(75)65(14)47(36(5)6)51(70)61-42(32-35(3)4)54(73)67(16)60(59(11,12)79-60)58(77)78-49(39(10)18-2)57(76)66(15)48(37(7)8)52(71)62-43(33-40-26-21-19-22-27-40)53(72)64(13)45(34-41-28-23-20-24-29-41)55(74)68-31-25-30-44(68)50(69)63-46/h19-24,26-29,35-39,42-49H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49+,60?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369562
(CHEMBL1790698)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)C(OC1=O)C(C)C)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C59H89N7O12/c1-16-37(9)45-57(74)77-47(36(7)8)52(69)61-41(31-34(3)4)54(71)65(15)49(59(11,12)76)58(75)78-48(38(10)17-2)56(73)64(14)46(35(5)6)51(68)60-42(32-39-25-20-18-21-26-39)53(70)63(13)44(33-40-27-22-19-23-28-40)55(72)66-30-24-29-43(66)50(67)62-45/h18-23,25-28,34-38,41-49,76H,16-17,24,29-33H2,1-15H3,(H,60,68)(H,61,69)(H,62,67)/t37-,38-,41-,42-,43-,44-,45-,46-,47?,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369550
(CHEMBL1790696)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccc(OCC3CCCCC3)cc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C61H100N8O12/c1-18-38(9)47-58(76)66(15)48(36(5)6)53(71)62-44(32-35(3)4)57(75)68(17)51(61(12,13)79)60(78)81-50(39(10)19-2)59(77)67(16)49(37(7)8)54(72)63-45(33-41-27-29-43(30-28-41)80-34-42-24-21-20-22-25-42)56(74)65(14)40(11)55(73)69-31-23-26-46(69)52(70)64-47/h27-30,35-40,42,44-51,79H,18-26,31-34H2,1-17H3,(H,62,71)(H,63,72)(H,64,70)/t38-,39-,40+,44-,45-,46-,47-,48-,49-,50+,51+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369554
(CHEMBL1790691)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C(C(O)c2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,41-,42-,43-,44-,45-,46-,47?,48?,49+,50+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369569
(CHEMBL1790689)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49+,50+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50408926
(Aureobasidin A | CHEMBL1793802)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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MCE
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| n/a | n/a | 2.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Calcein-AM efflux (Calcein-AM: 0.25 uM) in CEM/VLB100 cells |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369545
(CHEMBL1790686)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC Show InChI InChI=1S/C59H90N8O10/c1-16-38(11)47-53(70)62-46(35(5)6)52(69)60-42(31-34(3)4)56(73)66(15)49(37(9)10)59(76)77-50(39(12)17-2)58(75)65(14)48(36(7)8)54(71)61-43(32-40-25-20-18-21-26-40)55(72)64(13)45(33-41-27-22-19-23-28-41)57(74)67-30-24-29-44(67)51(68)63-47/h18-23,25-28,34-39,42-50H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t38-,39-,42-,43-,44-,45-,46-,47-,48-,49?,50+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369567
(CHEMBL1790695)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44+,45-,46-,47-,48-,49+,50+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
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| PubMed
| n/a | n/a | >2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369553
(CHEMBL1790694)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45-,46-,47+,48-,49+,50+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
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| PubMed
| n/a | n/a | >2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369549
(CHEMBL1790693)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44-,45+,46-,47-,48-,49+,50+/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
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PC sid
UniChem
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| n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369568
(CHEMBL1790688)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)C(NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC)C1CCCCC1 Show InChI InChI=1S/C53H92N8O11/c1-18-32(9)38-49(67)58(15)40(30(5)6)45(63)54-36(28-29(3)4)48(66)60(17)43(53(12,13)71)52(70)72-42(33(10)19-2)51(69)59(16)41(31(7)8)46(64)56-39(35-24-21-20-22-25-35)50(68)57(14)34(11)47(65)61-27-23-26-37(61)44(62)55-38/h29-43,71H,18-28H2,1-17H3,(H,54,63)(H,55,62)(H,56,64)/t32-,33-,34+,36-,37-,38-,39?,40-,41-,42+,43+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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UniChem
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| n/a | n/a | >2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
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KEGG
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| n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Calcein-AM efflux (Calcein-AM: 0.25 uM) in CEM/VLB100 cells |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369560
(CHEMBL1790675)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C53H86N8O11/c1-17-32(9)40-46(64)56-39(30(5)6)45(63)54-36(27-29(3)4)50(68)60(16)43(53(12,13)71)52(70)72-42(33(10)18-2)51(69)59(15)41(31(7)8)47(65)55-37(28-35-23-20-19-21-24-35)49(67)58(14)34(11)48(66)61-26-22-25-38(61)44(62)57-40/h19-21,23-24,29-34,36-43,71H,17-18,22,25-28H2,1-16H3,(H,54,63)(H,55,65)(H,56,64)(H,57,62)/t32-,33-,34+,36-,37-,38-,39-,40-,41-,42+,43+/m0/s1 | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369559
(CHEMBL1790697)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CO)N(C)C(=O)C(NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC)C1CCCCC1 Show InChI InChI=1S/C53H92N8O12/c1-17-32(9)38-49(68)58(14)40(30(5)6)45(64)54-35(27-29(3)4)47(66)60(16)43(53(11,12)72)52(71)73-42(33(10)18-2)51(70)59(15)41(31(7)8)46(65)56-39(34-23-20-19-21-24-34)50(69)57(13)37(28-62)48(67)61-26-22-25-36(61)44(63)55-38/h29-43,62,72H,17-28H2,1-16H3,(H,54,64)(H,55,63)(H,56,65)/t32-,33-,35-,36-,37+,38-,39?,40-,41-,42+,43+/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369556
(CHEMBL1790677)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C54H88N8O12/c1-18-32(9)40-51(70)59(15)41(30(5)6)46(65)55-37(27-29(3)4)50(69)61(17)44(54(12,13)73)53(72)74-43(33(10)19-2)52(71)60(16)42(31(7)8)47(66)56-38(28-35-22-24-36(63)25-23-35)49(68)58(14)34(11)48(67)62-26-20-21-39(62)45(64)57-40/h22-25,29-34,37-44,63,73H,18-21,26-28H2,1-17H3,(H,55,65)(H,56,66)(H,57,64)/t32-,33-,34+,37-,38-,39-,40-,41-,42-,43+,44+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369546
(CHEMBL1790676)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC)C1CCCCC1 Show InChI InChI=1S/C59H96N8O11/c1-17-37(9)44-55(73)64(14)46(35(5)6)51(69)60-41(32-34(3)4)53(71)66(16)49(59(11,12)77)58(76)78-48(38(10)18-2)57(75)65(15)47(36(7)8)52(70)62-45(40-28-23-20-24-29-40)56(74)63(13)43(33-39-26-21-19-22-27-39)54(72)67-31-25-30-42(67)50(68)61-44/h19,21-22,26-27,34-38,40-49,77H,17-18,20,23-25,28-33H2,1-16H3,(H,60,69)(H,61,68)(H,62,70)/t37-,38-,41-,42-,43-,44-,45?,46-,47-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369563
(CHEMBL1790692)Show SMILES CC[C@H](C)[C@@H]1NC(=O)CCCCCCCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C44H80N6O9/c1-16-29(9)33-41(55)48(13)35(28(7)8)39(53)46-31(25-26(3)4)40(54)50(15)37(44(11,12)58)43(57)59-36(30(10)17-2)42(56)49(14)34(27(5)6)38(52)45-24-22-20-18-19-21-23-32(51)47-33/h26-31,33-37,58H,16-25H2,1-15H3,(H,45,52)(H,46,53)(H,47,51)/t29-,30-,31-,33-,34-,35-,36+,37+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369552
(CHEMBL1790699)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)C(NC1=O)C(C)C)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C59H90N8O11/c1-16-37(9)46-52(70)62-45(35(5)6)51(69)60-41(31-34(3)4)55(73)66(15)49(59(11,12)77)58(76)78-48(38(10)17-2)57(75)65(14)47(36(7)8)53(71)61-42(32-39-25-20-18-21-26-39)54(72)64(13)44(33-40-27-22-19-23-28-40)56(74)67-30-24-29-43(67)50(68)63-46/h18-23,25-28,34-38,41-49,77H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t37-,38-,41-,42-,43-,44-,45?,46-,47-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369555
(CHEMBL1790687)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)N[C@H](CCC(O)=O)C(=O)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C60H89N9O14/c1-15-36(7)45-56(78)66(12)47(35(5)6)53(75)64-50(72)40(29-30-44(70)71)62-59(81)68(14)49(60(9,10)82)58(80)83-48(37(8)16-2)57(79)67(13)46(34(3)4)52(74)61-41(32-38-24-19-17-20-25-38)54(76)65(11)43(33-39-26-21-18-22-27-39)55(77)69-31-23-28-42(69)51(73)63-45/h17-22,24-27,34-37,40-43,45-49,82H,15-16,23,28-33H2,1-14H3,(H,61,74)(H,62,81)(H,63,73)(H,70,71)(H,64,72,75)/t36-,37-,40+,41-,42-,43-,45-,46-,47-,48+,49+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >8.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50369566
(CHEMBL1790678)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@@H](C)CC Show InChI InChI=1S/C48H84N8O12/c1-18-28(9)34-45(64)53(15)35(26(5)6)40(59)49-31(23-25(3)4)43(62)55(17)38(48(12,13)67)47(66)68-37(29(10)19-2)46(65)54(16)36(27(7)8)41(60)50-32(24-57)44(63)52(14)30(11)42(61)56-22-20-21-33(56)39(58)51-34/h25-38,57,67H,18-24H2,1-17H3,(H,49,59)(H,50,60)(H,51,58)/t28-,29-,30+,31-,32-,33-,34-,35-,36-,37+,38+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Strasbourg 1 University
Curated by ChEMBL
| Assay Description
Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells. |
J Med Chem 43: 2547-56 (2000)
BindingDB Entry DOI: 10.7270/Q2PG1SFC |
More data for this
Ligand-Target Pair | |
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