Found 16 hits of Enzyme Inhibition Constant Data 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)) | BDBM50374728
(CHEMBL415560)Show SMILES COc1cc2CCN(CCCC3=CCCc4c(OC)cccc34)Cc2cc1OC |t:11| Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,7,9,11,15-16H,4,6,8,10,12-14,17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374730
(CHEMBL264424)Show InChI InChI=1S/C19H27NO/c1-21-19-12-6-10-17-16(8-5-11-18(17)19)9-7-15-20-13-3-2-4-14-20/h6,9-10,12H,2-5,7-8,11,13-15H2,1H3/b16-9+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374722
(CHEMBL260499)Show SMILES COc1ccc2CCC=C(CCCN3CCc4cc(OC)c(OC)cc4C3)c2c1 |t:8| Show InChI InChI=1S/C25H31NO3/c1-27-22-10-9-19-7-4-6-18(23(19)16-22)8-5-12-26-13-11-20-14-24(28-2)25(29-3)15-21(20)17-26/h6,9-10,14-16H,4-5,7-8,11-13,17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.55E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50338982
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| 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-/m1/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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| Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
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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| Purchase
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KEGG
MMDB
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50353279
(CHEMBL1830683 | CHEMBL259582)Show InChI InChI=1S/C25H33NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,9,11,15-16,18H,4,6-8,10,12-14,17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.35E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374726
(CHEMBL259367)Show SMILES COc1ccc2C(CCCN3CCc4cc(OC)c(OC)cc4C3)CCCc2c1 |w:6.6| Show InChI InChI=1S/C25H33NO3/c1-27-22-9-10-23-18(6-4-7-20(23)14-22)8-5-12-26-13-11-19-15-24(28-2)25(29-3)16-21(19)17-26/h9-10,14-16,18H,4-8,11-13,17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.15E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374721
(CHEMBL261802)Show SMILES COc1cc2CCN(CCCC3=CCCc4cc(OC)c(OC)cc34)Cc2cc1OC |t:11| Show InChI InChI=1S/C26H33NO4/c1-28-23-13-19-10-12-27(17-21(19)15-25(23)30-3)11-6-9-18-7-5-8-20-14-24(29-2)26(31-4)16-22(18)20/h7,13-16H,5-6,8-12,17H2,1-4H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374724
(CHEMBL408993)Show SMILES [#6]-[#8]-c1cc2-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-3\[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-c2cc1-[#8]-[#6] Show InChI InChI=1S/C20H29NO2/c1-22-19-13-17-10-12-21(15-18(17)14-20(19)23-2)11-6-9-16-7-4-3-5-8-16/h9,13-14H,3-8,10-12,15H2,1-2H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374727
(CHEMBL405372)Show SMILES COc1ccc2CCCC(CCCN3CCc4cc(OC)c(OC)cc4C3)c2c1 |w:9.9| Show InChI InChI=1S/C25H33NO3/c1-27-22-10-9-19-7-4-6-18(23(19)16-22)8-5-12-26-13-11-20-14-24(28-2)25(29-3)15-21(20)17-26/h9-10,14-16,18H,4-8,11-13,17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374729
(CHEMBL260377)Show SMILES COc1ccc2C(CCCN3CCc4cc(OC)c(OC)cc4C3)=CCCc2c1 |c:25| Show InChI InChI=1S/C25H31NO3/c1-27-22-9-10-23-18(6-4-7-20(23)14-22)8-5-12-26-13-11-19-15-24(28-2)25(29-3)16-21(19)17-26/h6,9-10,14-16H,4-5,7-8,11-13,17H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.37E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374731
(CHEMBL260599)Show SMILES COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,8-9,11,15-16H,4,6-7,10,12-14,17H2,1-3H3/b18-8+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374723
(CHEMBL405448)Show SMILES COc1ccc2CCC\C(=C/CCN3CCc4cc(OC)c(OC)cc4C3)c2c1 Show InChI InChI=1S/C25H31NO3/c1-27-22-10-9-19-7-4-6-18(23(19)16-22)8-5-12-26-13-11-20-14-24(28-2)25(29-3)15-21(20)17-26/h8-10,14-16H,4-7,11-13,17H2,1-3H3/b18-8+ | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.86E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50206310
(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
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50374720
(CHEMBL259366)Show SMILES COc1cc2CCN(CCCC3CCCc4cc(OC)c(OC)cc34)Cc2cc1OC |w:11.10| Show InChI InChI=1S/C26H35NO4/c1-28-23-13-19-10-12-27(17-21(19)15-25(23)30-3)11-6-9-18-7-5-8-20-14-24(29-2)26(31-4)16-22(18)20/h13-16,18H,5-12,17H2,1-4H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari
Curated by ChEMBL
| Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells |
Bioorg Med Chem 16: 362-73 (2008)
Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS |
More data for this
Ligand-Target Pair | |
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