Found 216 hits with Last Name = 'zhang' and Initial = 'yb' 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 |
|---|
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85607
(CAS_189188-57-6 | SDZ-HTF-919 | SDZ-HTF919)Show SMILES COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10| Show InChI InChI=1S/C15H21N5O2/c1-22-12-4-5-14-13(8-12)11(9-18-14)10-19-20-15(16)17-6-2-3-7-21/h4-5,8-10,18,21H,2-3,6-7H2,1H3,(H3,16,17,20)/b19-10+ | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85607
(CAS_189188-57-6 | SDZ-HTF-919 | SDZ-HTF919)Show SMILES COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10| Show InChI InChI=1S/C15H21N5O2/c1-22-12-4-5-14-13(8-12)11(9-18-14)10-19-20-15(16)17-6-2-3-7-21/h4-5,8-10,18,21H,2-3,6-7H2,1H3,(H3,16,17,20)/b19-10+ | PDB
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| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85607
(CAS_189188-57-6 | SDZ-HTF-919 | SDZ-HTF919)Show SMILES COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10| Show InChI InChI=1S/C15H21N5O2/c1-22-12-4-5-14-13(8-12)11(9-18-14)10-19-20-15(16)17-6-2-3-7-21/h4-5,8-10,18,21H,2-3,6-7H2,1H3,(H3,16,17,20)/b19-10+ | PDB
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| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122872
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) | PDB
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| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122872
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) | PDB
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| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122872
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM94630
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) | PDB
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Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM94630
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) | PDB
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Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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Curated by PDSP Ki Database
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J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM94630
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) | PDB
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Curated by PDSP Ki Database
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J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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Curated by PDSP Ki Database
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J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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PC sid
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| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50610910
(CHEMBL5280844)Show SMILES OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50610910
(CHEMBL5280844)Show SMILES OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM291388
((R)-1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)Show SMILES Nc1ncnc(N[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)28-13-12-17(14-28)27-23-21(22(24)25-15-26-23)16-8-10-19(11-9-16)30-18-6-4-3-5-7-18/h2-11,15,17H,1,12-14H2,(H3,24,25,26,27)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| DrugBank
PDB
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50161162
(AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
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B.MOAD
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MCE
PC cid
PC sid
UniChem
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Similars
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM389631
(6-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)ni...)Show SMILES NC(=O)c1ccc(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31) | PDB
MMDB
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KEGG
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DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50588021
(CHEMBL4303247)Show SMILES Clc1cccc(NCC(=O)NC2CCCN(C2)c2ncnc3[nH]ccc23)c1 | PDB
MMDB
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| PDB
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50610909
(CHEMBL5285357)Show SMILES CC#CC(=O)N1CC[C@@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50610908
(CHEMBL5271514)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C(Cl)=C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50610910
(CHEMBL5280844)Show SMILES OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50175583
(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)Show SMILES [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| Purchase
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| PDB
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50610910
(CHEMBL5280844)Show SMILES OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50546171
(CHEMBL4790443)Show SMILES CC(F)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111731
BindingDB Entry DOI: 10.7270/Q24B34WR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50601461
(CHEMBL5203118)Show SMILES COc1cc(ccc1Nc1ncc2COC(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50610912
(CHEMBL5288995)Show SMILES Cc1cccc(c1)C(=O)Nc1cc(C)cc(c1)C(=O)Nc1cnc(NC(=O)CNC(=O)C=C)nc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM50610909
(CHEMBL5285357)Show SMILES CC#CC(=O)N1CC[C@@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM50161162
(AVL-292 | CC-292 | Spebrutinib | US10596172, Compo...)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-9-11-7-8-21-14-6-5-10-3-1-2-4-12(10)16(14)15(11)18-17(13)22-19(24)23-18/h1-4,9,14,16,21H,5-8H2,(H2,22,23,24)/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50610913
(CHEMBL5289623)Show SMILES Cn1cc(cn1)-c1ccc2ncc3CCC(=O)N(c4ccc5CCN(C(=O)C=C)c5c4)c3c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50601462
(CHEMBL5200275)Show SMILES COc1cc(ccc1Nc1ncc2C(C)OC(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50601451
(CHEMBL5172511)Show SMILES CCc1nc(C)cn1Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50601456
(CHEMBL5202915)Show SMILES Nc1ncnc2n(Cc3cccc(NC(=O)CCl)c3)nc(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50601461
(CHEMBL5203118)Show SMILES COc1cc(ccc1Nc1ncc2COC(=O)N(c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5446
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr |
Bioorg Med Chem 21: 1050-63 (2013)
Article DOI: 10.1016/j.bmc.2013.01.013
BindingDB Entry DOI: 10.7270/Q27S7Q3D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50601457
(CHEMBL5206407)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CCCN(C1)C(=O)CCl | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50610914
(CHEMBL5272842)Show SMILES Nc1ncnc2n(Cc3ccccc3F)nc(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50610918
(CHEMBL5270006)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Nc3cccc(F)c3)c3ncn(CC4CC4)c3n2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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Ligand-Target Pair | |
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