Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50038720 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 |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50244521
((4-[(5,6,7,8-tetrahydro-4-oxo-4H-[1]benzothieno[2,...)Show InChI InChI=1S/C17H14N2O3S2/c20-15(21)9-5-7-10(8-6-9)18-17-19-14-13(16(22)24-17)11-3-1-2-4-12(11)23-14/h5-8H,1-4H2,(H,18,19)(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(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
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 4.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)Show SMILES CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+ | PDB
UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(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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MCE KEGG PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 9.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 1
(Homo sapiens (Human)) | BDBM50244522
(4-(3-(3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b...)Show SMILES CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H20N2O4S2/c1-2-25-18(24)15-13-5-3-4-6-14(13)27-16(15)21-19(26)20-12-9-7-11(8-10-12)17(22)23/h7-10H,2-6H2,1H3,(H,22,23)(H2,20,21,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP1 in human 2008 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human)) | BDBM50052019
(CHEMBL89768 | L-660771 | MK-571 | Sodium; 3-[{3-[(...)Show SMILES CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/p-1/b10-6+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human)) | BDBM50244521
((4-[(5,6,7,8-tetrahydro-4-oxo-4H-[1]benzothieno[2,...)Show InChI InChI=1S/C17H14N2O3S2/c20-15(21)9-5-7-10(8-6-9)18-17-19-14-13(16(22)24-17)11-3-1-2-4-12(11)23-14/h5-8H,1-4H2,(H,18,19)(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(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
antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human)) | BDBM50244522
(4-(3-(3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b...)Show SMILES CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H20N2O4S2/c1-2-25-18(24)15-13-5-3-4-6-14(13)27-16(15)21-19(26)20-12-9-7-11(8-10-12)17(22)23/h7-10H,2-6H2,1H3,(H,22,23)(H2,20,21,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of human MRP2 expressed in dog MDCK2 cells |
Bioorg Med Chem Lett 18: 4761-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.127 BindingDB Entry DOI: 10.7270/Q2QZ2BWB |
More data for this Ligand-Target Pair | |