Found 809 hits with Last Name = 'klein' and Initial = 'r' 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 |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM50240277
(CHEMBL4061793)Show SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C17H20ClFN4O2S2/c18-12-9-15(27(24,25)22-16-20-5-8-26-16)13(19)10-14(12)21-11-17-3-1-6-23(17)7-2-4-17/h5,8-10,21H,1-4,6-7,11H2,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T |
More data for this Ligand-Target Pair | |
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human)) | BDBM50240278
(CHEMBL4062780)Show SMILES CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r| Show InChI InChI=1S/C19H24ClFN4O2S2/c1-18(2)10-19(4-3-6-25(19)12-18)11-23-15-9-14(21)16(8-13(15)20)29(26,27)24-17-22-5-7-28-17/h5,7-9,23H,3-4,6,10-12H2,1-2H3,(H,22,24)/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding poten... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00218 BindingDB Entry DOI: 10.7270/Q2C2514T |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Rattus norvegicus) | BDBM50434850
(CHEMBL2387397)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Mus musculus) | BDBM50434850
(CHEMBL2387397)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50158348
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00357g BindingDB Entry DOI: 10.7270/Q2BK1HBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ileal sodium/bile acid cotransporter
(Mus musculus) | BDBM50434849
(CHEMBL2385105 | US9040518, 6)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO6PS/c1-4-6-12-23(5-2)16-32(28,29)21-13-18(15-31(25,26)27)20(30-3)14-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-14,22,24H,4-6,12,15-16H2,1-3H3,(H2,25,26,27)/t22-,23-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50420996
(CHEMBL2086760)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32) | 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 | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of Flt3 |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Mus musculus) | BDBM50434846
(CHEMBL2387399 | US9040518, 35)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H36N2O6S2/c1-4-6-12-25(5-2)18-34(28,29)23-15-20(17-26-13-14-35(30,31)32)22(33-3)16-21(23)24(27-25)19-10-8-7-9-11-19/h7-11,15-16,24,26-27H,4-6,12-14,17-18H2,1-3H3,(H,30,31,32)/t24-,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Rattus norvegicus) | BDBM50434849
(CHEMBL2385105 | US9040518, 6)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CP(O)(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C23H32NO6PS/c1-4-6-12-23(5-2)16-32(28,29)21-13-18(15-31(25,26)27)20(30-3)14-19(21)22(24-23)17-10-8-7-9-11-17/h7-11,13-14,22,24H,4-6,12,15-16H2,1-3H3,(H2,25,26,27)/t22-,23-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380930
(CHEMBL2016890)Show SMILES Cc1noc(n1)-c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H31BrN10O/c1-16-19(27-5-8-34-6-3-4-7-34)13-18(25-30-17(2)33-37-25)14-20(16)35-9-11-36(12-10-35)24-21-22(26)31-32-23(21)28-15-29-24/h13-15,27H,3-12H2,1-2H3,(H,28,29,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380929
(CHEMBL2016892)Show SMILES CCC(=O)c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H33BrN8O/c1-3-21(35)18-14-19(27-6-9-32-7-4-5-8-32)17(2)20(15-18)33-10-12-34(13-11-33)25-22-23(26)30-31-24(22)28-16-29-25/h14-16,27H,3-13H2,1-2H3,(H,28,29,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380931
(CHEMBL2016886)Show SMILES CC(C)COc1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C26H37BrN8O/c1-18(2)16-36-20-14-21(28-6-9-33-7-4-5-8-33)19(3)22(15-20)34-10-12-35(13-11-34)26-23-24(27)31-32-25(23)29-17-30-26/h14-15,17-18,28H,4-13,16H2,1-3H3,(H,29,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380935
(CHEMBL2016887)Show SMILES Cc1c(NCCN2CCCC2)cc(cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H34BrN9O/c1-20-23(31-9-12-37-10-5-6-11-37)17-21(29(40)34-22-7-3-2-4-8-22)18-24(20)38-13-15-39(16-14-38)28-25-26(30)35-36-27(25)32-19-33-28/h2-4,7-8,17-19,31H,5-6,9-16H2,1H3,(H,34,40)(H,32,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50380939
(CHEMBL2016893)Show SMILES Cc1c(NCCN2CCCC2)cc(cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12)C(=O)CCC(F)(F)F Show InChI InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of AKT1 after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Rattus norvegicus) | BDBM50051088
(CHEMBL3318147)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of rat Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -90 mV by whole-cell QPatch HT assa... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01570 BindingDB Entry DOI: 10.7270/Q2NG4VJC |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50420996
(CHEMBL2086760)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32) | PDB MMDB
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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of PDGFRbeta |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50158348
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00357g BindingDB Entry DOI: 10.7270/Q2BK1HBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ileal sodium/bile acid cotransporter
(Rattus norvegicus) | BDBM47370
(BDBM50434858 | US9040518, 26)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380936
(CHEMBL2016888)Show SMILES Cc1c(NCCN2CCCC2)cc(COCC(F)(F)F)cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C25H32BrF3N8O/c1-17-19(30-4-7-35-5-2-3-6-35)12-18(14-38-15-25(27,28)29)13-20(17)36-8-10-37(11-9-36)24-21-22(26)33-34-23(21)31-16-32-24/h12-13,16,30H,2-11,14-15H2,1H3,(H,31,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50421033
(CHEMBL2087167)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50379531
(CHEMBL2012702)Show SMILES CN(C)CCNc1cc(Cl)cc(N2CCN(CC2)c2ncnc3n[nH]c(Br)c23)c1C Show InChI InChI=1S/C20H26BrClN8/c1-13-15(23-4-5-28(2)3)10-14(22)11-16(13)29-6-8-30(9-7-29)20-17-18(21)26-27-19(17)24-12-25-20/h10-12,23H,4-9H2,1-3H3,(H,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380932
(CHEMBL2016771)Show SMILES Cc1c(NCCN2CCCC2)cc(Cl)cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C22H28BrClN8/c1-15-17(25-4-7-30-5-2-3-6-30)12-16(24)13-18(15)31-8-10-32(11-9-31)22-19-20(23)28-29-21(19)26-14-27-22/h12-14,25H,2-11H2,1H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380938
(CHEMBL2016891)Show SMILES COC(=O)c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C24H31BrN8O2/c1-16-18(26-5-8-31-6-3-4-7-31)13-17(24(34)35-2)14-19(16)32-9-11-33(12-10-32)23-20-21(25)29-30-22(20)27-15-28-23/h13-15,26H,3-12H2,1-2H3,(H,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380939
(CHEMBL2016893)Show SMILES Cc1c(NCCN2CCCC2)cc(cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12)C(=O)CCC(F)(F)F Show InChI InChI=1S/C26H32BrF3N8O/c1-17-19(31-6-9-36-7-2-3-8-36)14-18(21(39)4-5-26(28,29)30)15-20(17)37-10-12-38(13-11-37)25-22-23(27)34-35-24(22)32-16-33-25/h14-16,31H,2-13H2,1H3,(H,32,33,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380937
(CHEMBL2016889)Show SMILES Cc1c(NCCN2CCCC2)cc(CCC(C)(C)C)cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C28H41BrN8/c1-20-22(30-9-12-35-10-5-6-11-35)17-21(7-8-28(2,3)4)18-23(20)36-13-15-37(16-14-36)27-24-25(29)33-34-26(24)31-19-32-27/h17-19,30H,5-16H2,1-4H3,(H,31,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380934
(CHEMBL2016885)Show SMILES CCOc1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12 Show InChI InChI=1S/C24H33BrN8O/c1-3-34-18-14-19(26-6-9-31-7-4-5-8-31)17(2)20(15-18)32-10-12-33(13-11-32)24-21-22(25)29-30-23(21)27-16-28-24/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50434848
(CHEMBL2387520)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C26H35NO5S/c1-4-6-15-26(5-2)18-33(30,31)23-16-20(13-10-14-24(28)29)22(32-3)17-21(23)25(27-26)19-11-8-7-9-12-19/h7-9,11-12,16-17,25,27H,4-6,10,13-15,18H2,1-3H3,(H,28,29)/t25-,26-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50434847
(CHEMBL2387421 | US9040518, 3)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O7S2/c1-4-6-12-25(5-2)17-35(29,30)22-16-19(24(28)26-13-14-36(31,32)33)21(34-3)15-20(22)23(27-25)18-10-8-7-9-11-18/h7-11,15-16,23,27H,4-6,12-14,17H2,1-3H3,(H,26,28)(H,31,32,33)/t23-,25-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50379530
(CHEMBL2012701)Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN(C)C)c3C)c12 Show InChI InChI=1S/C22H31ClN8/c1-5-17-20-21(28-27-17)25-14-26-22(20)31-10-8-30(9-11-31)19-13-16(23)12-18(15(19)2)24-6-7-29(3)4/h12-14,24H,5-11H2,1-4H3,(H,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Mus musculus) | BDBM47370
(BDBM50434858 | US9040518, 26)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Rattus norvegicus) | BDBM50434846
(CHEMBL2387399 | US9040518, 35)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H36N2O6S2/c1-4-6-12-25(5-2)18-34(28,29)23-15-20(17-26-13-14-35(30,31)32)22(33-3)16-21(23)24(27-25)19-10-8-7-9-11-19/h7-11,15-16,24,26-27H,4-6,12-14,17-18H2,1-3H3,(H,30,31,32)/t24-,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50590345
(CHEMBL5192525)Show SMILES COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)Nc3ccc(O)cc3)c2=O)cc1Cl | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00357g BindingDB Entry DOI: 10.7270/Q2BK1HBN |
More data for this Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50051088
(CHEMBL3318147)Show SMILES [H][C@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by whole-cell QPatch HT as... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01570 BindingDB Entry DOI: 10.7270/Q2NG4VJC |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50421016
(CHEMBL2086742)Show SMILES COc1ccc2nc([nH]c2c1)C(=C1C(=O)Nc2ccc(cc12)C(O)=O)c1ccccc1 |w:11.12| Show InChI InChI=1S/C24H17N3O4/c1-31-15-8-10-18-19(12-15)26-22(25-18)20(13-5-3-2-4-6-13)21-16-11-14(24(29)30)7-9-17(16)27-23(21)28/h2-12H,1H3,(H,25,26)(H,27,28)(H,29,30) | PDB MMDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Mus musculus) | BDBM50134411
((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1 Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50421034
(CHEMBL2087168)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H27F2N5O/c1-3-33-8-6-19(7-9-33)31-20-4-5-22-21(13-20)24(26(34)32-22)23(25-29-14-15(2)30-25)16-10-17(27)12-18(28)11-16/h4-5,10-14,19,31H,3,6-9H2,1-2H3,(H,29,30)(H,32,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50420996
(CHEMBL2086760)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50421026
(CHEMBL2086753)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C29H29N5O/c1-2-34-16-14-20(15-17-34)30-21-12-13-23-22(18-21)27(29(35)33-23)26(19-8-4-3-5-9-19)28-31-24-10-6-7-11-25(24)32-28/h3-13,18,20,30H,2,14-17H2,1H3,(H,31,32)(H,33,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50421028
(CHEMBL2086756)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cccc(F)c3)c2c1 Show InChI InChI=1S/C29H28FN5O/c1-2-35-14-12-20(13-15-35)31-21-10-11-23-22(17-21)27(29(36)34-23)26(18-6-5-7-19(30)16-18)28-32-24-8-3-4-9-25(24)33-28/h3-11,16-17,20,31H,2,12-15H2,1H3,(H,32,33)(H,34,36) | PDB MMDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50420996
(CHEMBL2086760)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of RSK2 |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human)) | BDBM50380933
(CHEMBL2012699)Show SMILES CCc1[nH]nc2ncnc(N3CCN(CC3)c3cc(Cl)cc(NCCN4CCCC4)c3C)c12 Show InChI InChI=1S/C24H33ClN8/c1-3-19-22-23(30-29-19)27-16-28-24(22)33-12-10-32(11-13-33)21-15-18(25)14-20(17(21)2)26-6-9-31-7-4-5-8-31/h14-16,26H,3-13H2,1-2H3,(H,27,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay |
Bioorg Med Chem Lett 22: 2693-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.011 BindingDB Entry DOI: 10.7270/Q2WD41MT |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50421035
(CHEMBL2087169)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3ccccc3F)c2c1 |w:17.25| Show InChI InChI=1S/C26H28FN5O/c1-3-32-12-10-17(11-13-32)30-18-8-9-22-20(14-18)24(26(33)31-22)23(25-28-15-16(2)29-25)19-6-4-5-7-21(19)27/h4-9,14-15,17,30H,3,10-13H2,1-2H3,(H,28,29)(H,31,33) | PDB MMDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50421034
(CHEMBL2087168)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25| Show InChI InChI=1S/C26H27F2N5O/c1-3-33-8-6-19(7-9-33)31-20-4-5-22-21(13-20)24(26(34)32-22)23(25-29-14-15(2)30-25)16-10-17(27)12-18(28)11-16/h4-5,10-14,19,31H,3,6-9H2,1-2H3,(H,29,30)(H,32,34) | PDB MMDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50158348
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00357g BindingDB Entry DOI: 10.7270/Q2BK1HBN |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50420996
(CHEMBL2086760)Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of Flt4 |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50158348
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r| Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00357g BindingDB Entry DOI: 10.7270/Q2BK1HBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50434867
(CHEMBL2387522 | US9040518, 20)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H35NO6S2/c1-4-6-14-25(5-2)18-33(27,28)23-16-20(13-10-15-34(29,30)31)22(32-3)17-21(23)24(26-25)19-11-8-7-9-12-19/h7-9,11-12,16-17,24,26H,4-6,10,13-15,18H2,1-3H3,(H,29,30,31)/t24-,25-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Ileal sodium/bile acid cotransporter
(Homo sapiens (Human)) | BDBM50434850
(CHEMBL2387397)Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi... |
J Med Chem 56: 5094-114 (2013)
Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50421036
(CHEMBL2086736)Show SMILES OC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1 Show InChI InChI=1S/C23H15N3O3/c27-22-20(15-12-14(23(28)29)10-11-16(15)26-22)19(13-6-2-1-3-7-13)21-24-17-8-4-5-9-18(17)25-21/h1-12H,(H,24,25)(H,26,27)(H,28,29) | PDB MMDB
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay |
Bioorg Med Chem Lett 22: 4979-85 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.029 BindingDB Entry DOI: 10.7270/Q2XG9SD4 |
More data for this Ligand-Target Pair | |