Found 727 hits with Last Name = 'littlewood-evans' and Initial = 'a' 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 |
|---|
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575488
(CHEMBL4852381)Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50514642
(CHEMBL4593663)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc2[nH]cc(C3=CCN(CC3)C(=O)C=C)c12 |t:31| Show InChI InChI=1S/C31H28FN5O2/c1-3-27(38)37-12-10-21(11-13-37)25-16-33-30-28(25)29(34-17-35-30)24-14-23(32)15-26(18(24)2)36-31(39)22-8-6-20(7-9-22)19-4-5-19/h3,6-10,14-17,19H,1,4-5,11-13H2,2H3,(H,36,39)(H,33,34,35) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259415
(US10457647, Example 14 | US11180460, Example 14 | ...)Show SMILES CCN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C28H29F2N5O3/c1-4-24(36)35(5-2)10-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)3)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h4,8-9,12-15,17H,1,5-7,10-11H2,2-3H3,(H,34,37)(H2,31,32,33) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613388
(CHEMBL5283863)Show SMILES CCc1cccc(NC(=O)c2cccc3cc(Oc4cc(N)ncn4)ccc23)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | 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 SYK
(Homo sapiens (Human)) | BDBM50076190
(CHEMBL3416023)Show SMILES N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r| Show InChI InChI=1S/C19H23N9O/c20-14-6-1-2-7-15(14)26-16-11-22-17(18(21)29)19(27-16)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,14-15H,1-2,6-7,20H2,(H2,21,29)(H2,25,26,27)/t14-,15+/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay |
J Med Chem 58: 1950-63 (2015)
Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50076187
(CHEMBL3416027 | US9290481, 1.4)Show SMILES N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3[nH]ccc23)n1 |r| | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay |
J Med Chem 58: 1950-63 (2015)
Article DOI: 10.1021/jm5018863
BindingDB Entry DOI: 10.7270/Q2G44S0C |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613388
(CHEMBL5283863)Show SMILES CCc1cccc(NC(=O)c2cccc3cc(Oc4cc(N)ncn4)ccc23)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50260351
(CHEMBL4086667)Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin K |
Bioorg Med Chem 25: 4512-4525 (2017)
Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM9503
(2-[(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethy...)Show InChI InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 1.20 | 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) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM9503
(2-[(pyridin-4-ylmethyl)amino]-N-[3-(trifluoromethy...)Show InChI InChI=1S/C20H16F3N3O/c21-20(22,23)15-4-3-5-16(12-15)26-19(27)17-6-1-2-7-18(17)25-13-14-8-10-24-11-9-14/h1-12,25H,13H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 1.20 | 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)) | BDBM259407
(US10457647, Example 6 | US11180460, Example 6 | US...)Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259423
(US10457647, Example 22 | US11180460, Example 22 | ...)Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCCN1C(=O)C=C |r| Show InChI InChI=1S/C29H29F2N5O3/c1-3-25(37)36-10-4-5-20(36)14-39-27-26(33-15-34-28(27)32)22-12-19(30)13-24(16(22)2)35-29(38)21-9-8-18(11-23(21)31)17-6-7-17/h3,8-9,11-13,15,17,20H,1,4-7,10,14H2,2H3,(H,35,38)(H2,32,33,34)/t20-/m0/s1 | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259409
(US10457647, Example 8 | US11180460, Example 8 | US...)Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C#C Show InChI InChI=1S/C27H25F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h1,7-8,11-14,16H,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32) | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50514634
(CHEMBL4450082)Show SMILES CN(CC\C=C\c1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C29H30FN5O2/c1-4-26(36)35(3)14-6-5-7-23-27(32-17-33-28(23)31)24-15-22(30)16-25(18(24)2)34-29(37)21-12-10-20(11-13-21)19-8-9-19/h4-5,7,10-13,15-17,19H,1,6,8-9,14H2,2-3H3,(H,34,37)(H2,31,32,33)/b7-5+ | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575492
(CHEMBL4784496)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(C)=O)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:14:13:2.3:7.8.6| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50514645
(CHEMBL4546324)Show SMILES CN(C\C=C\c1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C28H27F2N5O2/c1-4-25(36)35(3)11-5-6-21-26(32-15-33-27(21)31)22-13-19(29)14-24(16(22)2)34-28(37)20-10-9-18(12-23(20)30)17-7-8-17/h4-6,9-10,12-15,17H,1,7-8,11H2,2-3H3,(H,34,37)(H2,31,32,33)/b6-5+ | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613385
(CHEMBL5288744)Show SMILES Nc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613383
(CHEMBL5280119)Show SMILES Nc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)ncn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | 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 BTK
(Homo sapiens (Human)) | BDBM50514637
(CHEMBL4463185)Show SMILES Cc1c(NC(=O)c2ccc(c(F)c2F)C(C)(C)O)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C Show InChI InChI=1S/C27H26F3N5O4/c1-5-20(36)35-10-15(11-35)39-24-23(32-12-33-25(24)31)17-8-14(28)9-19(13(17)2)34-26(37)16-6-7-18(27(3,4)38)22(30)21(16)29/h5-9,12,15,38H,1,10-11H2,2-4H3,(H,34,37)(H2,31,32,33) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259407
(US10457647, Example 6 | US11180460, Example 6 | US...)Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HT... |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270425
(CHEMBL4080062)Show SMILES OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 Show InChI InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270439
(CHEMBL4104297)Show SMILES Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-4-2-5-15(12-14)28-20(30)18-6-1-3-13-11-16(7-8-17(13)18)31-19-9-10-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613383
(CHEMBL5280119)Show SMILES Nc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)ncn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50260350
(CHEMBL4078089)Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1 Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin K |
Bioorg Med Chem 25: 4512-4525 (2017)
Article DOI: 10.1016/j.bmc.2017.06.050
BindingDB Entry DOI: 10.7270/Q2NS0XB3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613385
(CHEMBL5288744)Show SMILES Nc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50270425
(CHEMBL4080062)Show SMILES OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1 Show InChI InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | 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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| | 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 | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50348515
(CHEMBL1233942)Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F Show InChI InChI=1S/C23H21FN4O/c1-28-11-23(12-28)10-26-22(29)19-15-7-6-13-9-25-18(14-4-2-3-5-17(14)24)8-16(13)20(15)27-21(19)23/h2-5,8-9,27H,6-7,10-12H2,1H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis |
Bioorg Med Chem Lett 20: 4719-23 (2010)
Checked by Author
Article DOI: 10.1016/j.bmcl.2010.04.023
BindingDB Entry DOI: 10.7270/Q2BZ66C2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575488
(CHEMBL4852381)Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575487
(CHEMBL4871560)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cn2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575486
(CHEMBL4857223)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575485
(CHEMBL4846099)Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2nc3ccccc3s2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575483
(CHEMBL4869350)Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(COCc2ccccc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575482
(CHEMBL4870263)Show SMILES C[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1nnn(C[C@@H](N)CC(O)=O)n1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575481
(CHEMBL4866709)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(OCCc2ccccc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575477
(CHEMBL4859847)Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575478
(CHEMBL4858542)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575479
(CHEMBL4878813)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(F)cc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259434
(US10457647, Example 33 | US11180460, Example 33 | ...)Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1CCN1C(=O)C=C |r| Show InChI InChI=1S/C28H27F2N5O3/c1-3-24(36)35-9-8-19(35)13-38-26-25(32-14-33-27(26)31)21-11-18(29)12-23(15(21)2)34-28(37)20-7-6-17(10-22(20)30)16-4-5-16/h3,6-7,10-12,14,16,19H,1,4-5,8-9,13H2,2H3,(H,34,37)(H2,31,32,33)/t19-/m0/s1 | 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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575484
(CHEMBL4847272)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575489
(CHEMBL4871711)Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259422
(US10457647, Example 21 | US11180460, Example 21 | ...)Show SMILES CN(CCCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C28H29F2N5O3/c1-4-24(36)35(3)10-5-11-38-26-25(32-15-33-27(26)31)21-13-19(29)14-23(16(21)2)34-28(37)20-9-8-18(12-22(20)30)17-6-7-17/h4,8-9,12-15,17H,1,5-7,10-11H2,2-3H3,(H,34,37)(H2,31,32,33) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575465
(CHEMBL4851581) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50514644
(CHEMBL4463650)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CN(C1)C(=O)C=C Show InChI InChI=1S/C27H26FN5O3/c1-3-23(34)33-12-20(13-33)36-25-24(30-14-31-26(25)29)21-10-19(28)11-22(15(21)2)32-27(35)18-8-6-17(7-9-18)16-4-5-16/h3,6-11,14,16,20H,1,4-5,12-13H2,2H3,(H,32,35)(H2,29,30,31) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM259406
(US10457647, Example 5 | US11180460, Example 5 | US...)Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C29H29F2N5O3/c1-3-25(37)36-10-8-20(9-11-36)39-27-26(33-15-34-28(27)32)22-13-19(30)14-24(16(22)2)35-29(38)21-7-6-18(12-23(21)31)17-4-5-17/h3,6-7,12-15,17,20H,1,4-5,8-11H2,2H3,(H,35,38)(H2,32,33,34) | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575488
(CHEMBL4852381)Show SMILES N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50514635
(CHEMBL4559123)Show SMILES CN(C\C=C\c1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2)C2CC2)c1C)C(=O)C=C Show InChI InChI=1S/C28H28FN5O2/c1-4-25(35)34(3)13-5-6-22-26(31-16-32-27(22)30)23-14-21(29)15-24(17(23)2)33-28(36)20-11-9-19(10-12-20)18-7-8-18/h4-6,9-12,14-16,18H,1,7-8,13H2,2-3H3,(H,33,36)(H2,30,31,32)/b6-5+ | 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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay |
J Med Chem 63: 5102-5118 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01916
BindingDB Entry DOI: 10.7270/Q2GB27FW |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50613384
(CHEMBL5276611)Show SMILES Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)n1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50575468
(CHEMBL4879150) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI: 10.7270/Q2B85CZG |
More data for this
Ligand-Target Pair | |
Search and Browse
