Found 162 hits with Last Name = 'ambudkar' and Initial = 'sv' 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 |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50603613
(CHEMBL5169644)Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114103 BindingDB Entry DOI: 10.7270/Q2PV6QGP |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50603613
(CHEMBL5169644)Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 483 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114103 BindingDB Entry DOI: 10.7270/Q2PV6QGP |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50603612
(CHEMBL5171777)Show SMILES COc1cc(CCNC2=NC(=NC3=NC=NC23)C#Cc2ccc(Cl)s2)ccc1O |c:10,14,t:8,12| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114103 BindingDB Entry DOI: 10.7270/Q2PV6QGP |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Mus musculus) | BDBM50603613
(CHEMBL5169644)Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r| | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114103 BindingDB Entry DOI: 10.7270/Q2PV6QGP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50425387
(CHEMBL2311806)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50425387
(CHEMBL2311806)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50425386
(CHEMBL2311808)Show SMILES Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H23N7O/c1-18-8-9-20(26(35)31-22-6-3-7-23(14-22)34-16-19(2)30-17-34)13-25(18)33-27-29-12-10-24(32-27)21-5-4-11-28-15-21/h3-17H,1-2H3,(H,31,35)(H,29,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM151585
(US11739089, Compound Ketoconazole | US8987315, Ket...)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) expressed in baculosomes |
J Med Chem 61: 834-864 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01340 BindingDB Entry DOI: 10.7270/Q20R9RVX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50425387
(CHEMBL2311806)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50425386
(CHEMBL2311808)Show SMILES Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H23N7O/c1-18-8-9-20(26(35)31-22-6-3-7-23(14-22)34-16-19(2)30-17-34)13-25(18)33-27-29-12-10-24(32-27)21-5-4-11-28-15-21/h3-17H,1-2H3,(H,31,35)(H,29,32,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50247405
(CHEMBL4077753)Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(C(C)C)c1nc(cs1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C24H31F2N3O5S/c1-13(2)19(29-21(30)14-10-17(32-3)20(34-5)18(11-14)33-4)23-28-16(12-35-23)22(31)27-15-6-8-24(25,26)9-7-15/h10-13,15,19H,6-9H2,1-5H3,(H,27,31)(H,29,30) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Displacement of [125I]-IAAP from human P-gp expressed in high five insect cell membrane vesicles preincubated for 10 mins followed by photocrosslinki... |
J Med Chem 61: 834-864 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01340 BindingDB Entry DOI: 10.7270/Q20R9RVX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human LCK using poly[Glu:Tyr] (4:1) peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425387
(CHEMBL2311806)Show SMILES Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C28H25N7O/c1-18-11-23(14-24(12-18)35-16-20(3)31-17-35)32-27(36)21-7-6-19(2)26(13-21)34-28-30-10-8-25(33-28)22-5-4-9-29-15-22/h4-17H,1-3H3,(H,32,36)(H,30,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human ABL1 using EAIYAAPFAKKK peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 367 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50603613
(CHEMBL5169644)Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114103 BindingDB Entry DOI: 10.7270/Q2PV6QGP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 442 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50545548
(CHEMBL4633247)Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r| Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50603614
(CHEMBL5196742)Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCCc3ccc(OC)c(O)c3)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114103 BindingDB Entry DOI: 10.7270/Q2PV6QGP |
More data for this Ligand-Target Pair | |
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human)) | BDBM50068270
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Chang Gung Memorial Hospital
Curated by ChEMBL
| Assay Description Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas... |
J Nat Prod 83: 1461-1472 (2020)
Article DOI: 10.1021/acs.jnatprod.9b01022 BindingDB Entry DOI: 10.7270/Q27D2ZQP |
More data for this Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50425386
(CHEMBL2311808)Show SMILES Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H23N7O/c1-18-8-9-20(26(35)31-22-6-3-7-23(14-22)34-16-19(2)30-17-34)13-25(18)33-27-29-12-10-24(32-27)21-5-4-11-28-15-21/h3-17H,1-2H3,(H,31,35)(H,29,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 653 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50015306
(CHEMBL3263842)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H31N3O6S/c1-18(2)26(34-29(36)20-15-24(38-3)28(40-5)25(16-20)39-4)31-33-23(17-41-31)30(37)32-22-14-10-9-13-21(22)27(35)19-11-7-6-8-12-19/h6-18,26H,1-5H3,(H,32,37)(H,34,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Displacement of [125I]IAPP from ABCB1 (unknown origin) expressed in High Five insect cell membrane at >5 uM preincubated for 10 mins by autoradiograp... |
J Med Chem 57: 4058-72 (2014)
Article DOI: 10.1021/jm401966m BindingDB Entry DOI: 10.7270/Q2794671 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425385
(CHEMBL2311807)Show SMILES Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H22FN7O/c1-17-5-6-19(10-25(17)34-27-30-9-7-24(33-27)20-4-3-8-29-14-20)26(36)32-22-11-21(28)12-23(13-22)35-15-18(2)31-16-35/h3-16H,1-2H3,(H,32,36)(H,30,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Advancing Translational Sciences
Curated by ChEMBL
| Assay Description Inhibition of human ABL1 using EAIYAAPFAKKK peptide substrate |
Bioorg Med Chem Lett 23: 682-6 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.111 BindingDB Entry DOI: 10.7270/Q2PK0HG5 |
More data for this Ligand-Target Pair | |
ATP-dependent translocase ABCB1
(Homo sapiens (Human)) | BDBM50247406
(CHEMBL4089061)Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(Cc1ccccc1)c1nc(cs1)C(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C28H31F2N3O5S/c1-36-22-14-18(15-23(37-2)24(22)38-3)25(34)32-20(13-17-7-5-4-6-8-17)27-33-21(16-39-27)26(35)31-19-9-11-28(29,30)12-10-19/h4-8,14-16,19-20H,9-13H2,1-3H3,(H,31,35)(H,32,34) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Displacement of [125I]-IAAP from human P-gp expressed in high five insect cell membrane vesicles preincubated for 10 mins followed by photocrosslinki... |
J Med Chem 61: 834-864 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01340 BindingDB Entry DOI: 10.7270/Q20R9RVX |
More data for this Ligand-Target Pair | |