Found 565 hits with Last Name = 'tien' and Initial = 'd' 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 |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50070228
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9). |
Bioorg Med Chem Lett 8: 1157-62 (1999)
BindingDB Entry DOI: 10.7270/Q26W997Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324313
(5-(tert-butyl)-N-(2- ((R)-2-hydroxypropyl)- 8-(2-(...)Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-25(39)24-34-26(40-35-24)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324314
(5-(tert-butyl)-N-(2-(2- methoxyethyl)-8-(2-((1- me...)Show SMILES COCCN1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C28H35N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-9-11-37(12-13-39-5)16-19-14-18(6-7-21(19)23)22-8-10-29-27(33-22)31-20-15-30-36(4)17-20/h6-8,10,14-15,17,23H,9,11-13,16H2,1-5H3,(H,32,38)(H,29,31,33) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324316
(5-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324317
((R)-5-(tert-butyl)-N-(2- (3-hydroxycyclobutyl)-8- ...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wU:15.30,(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324318
(5-(tert-butyl)-N-(2-ethyl- 8-(2-((1-methyl-1H- pyr...)Show SMILES CCN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C27H33N9O2/c1-6-36-12-10-22(31-23(37)24-33-34-25(38-24)27(2,3)4)20-8-7-17(13-18(20)15-36)21-9-11-28-26(32-21)30-19-14-29-35(5)16-19/h7-9,11,13-14,16,22H,6,10,12,15H2,1-5H3,(H,31,37)(H,28,30,32) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324320
(5-(tert-butyl)-N-(2- ((S)-2-hydroxypropyl)- 8-(2-(...)Show SMILES C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324321
(5-(tert-butyl)-N-(2-((R)- 2-hydroxypropyl)-8-(2- (...)Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324322
(5-(tert-butyl)-N-(2-(2- hydroxy-2- methylpropyl)-8...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324324
(5-(tert-butyl)-N-(2-(3- hydroxypropyl)- 8-(2-((1- ...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C28H35N9O3/c1-28(2,3)26-35-34-25(40-26)24(39)32-23-9-12-37(11-5-13-38)16-19-14-18(6-7-21(19)23)22-8-10-29-27(33-22)31-20-15-30-36(4)17-20/h6-8,10,14-15,17,23,38H,5,9,11-13,16H2,1-4H3,(H,32,39)(H,29,31,33) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324325
(5-(tert-butyl)-N- (8-(2-((1- methyl-1H-pyrazol-4- ...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-37-36-23(41-24)22(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324327
((R)-5-(tert-butyl)-N-(8- (2-((5,6-dihydro-4H- pyrr...)Show SMILES CC(C)(C)c1nnc(o1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)32-22-9-12-37(13-14-39)17-19-15-18(6-7-20(19)22)21-8-10-30-28(33-21)34-23-16-31-38-11-4-5-24(23)38/h6-8,10,15-16,22,39H,4-5,9,11-14,17H2,1-3H3,(H,32,40)(H,30,33,34)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324328
(5-(tert-butyl)-N-(8- (2-((1- ethyl-1H-pyrazol-4- y...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324329
(5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324330
(5-(tert-butyl)-N-(8- (2-((1- ethyl-1H-pyrazol-4- y...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C28H35N9O3/c1-5-37-17-20(15-30-37)31-27-29-10-8-22(33-27)18-6-7-21-19(14-18)16-36(12-13-38)11-9-23(21)32-24(39)25-34-35-26(40-25)28(2,3)4/h6-8,10,14-15,17,23,38H,5,9,11-13,16H2,1-4H3,(H,32,39)(H,29,31,33) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324331
(5-(tert-butyl)-N-(2- methyl-8-(2-((1-methyl- 1H-py...)Show SMILES CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C26H31N9O2/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-9-11-34(4)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-35(5)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324332
((R)-1-(tert-butyl)- N-(8- (2-((1,5-dimethyl-1H- py...)Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cnn1C |r| Show InChI InChI=1S/C28H36N10O2/c1-18-24(15-30-36(18)5)33-27-29-10-8-22(32-27)19-6-7-21-20(14-19)16-37(12-13-39)11-9-23(21)31-26(40)25-17-38(35-34-25)28(2,3)4/h6-8,10,14-15,17,23,39H,9,11-13,16H2,1-5H3,(H,31,40)(H,29,32,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324333
((R)-5-(tert-butyl)-N-(8- (2-((1,3-dimethyl-1H- pyr...)Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(Cc2c1)C1COC1)NC(=O)c1noc(n1)C(C)(C)C |r| Show InChI InChI=1S/C29H35N9O3/c1-17-24(14-37(5)35-17)33-28-30-10-8-22(32-28)18-6-7-21-19(12-18)13-38(20-15-40-16-20)11-9-23(21)31-26(39)25-34-27(41-36-25)29(2,3)4/h6-8,10,12,14,20,23H,9,11,13,15-16H2,1-5H3,(H,31,39)(H,30,32,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324334
((R)-1-(tert-butyl)-N-(2- (2-hydroxyethyl)-8-(2- ((...)Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H38N10O2/c1-19(2)38-17-22(15-31-38)32-28-30-10-8-24(34-28)20-6-7-23-21(14-20)16-37(12-13-40)11-9-25(23)33-27(41)26-18-39(36-35-26)29(3,4)5/h6-8,10,14-15,17-19,25,40H,9,11-13,16H2,1-5H3,(H,33,41)(H,30,32,34)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324335
(5-(tert-butyl)-N-((R)-2- ((R)-2-hydroxy- propyl)-8...)Show SMILES C[C@@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324336
((R)-5-(tert-butyl)-N-(2- (cyclopropylmethyl)-8- (2...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC4CC4)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H35N9O2/c1-29(2,3)27-36-35-26(40-27)25(39)33-24-10-12-38(15-18-5-6-18)16-20-13-19(7-8-22(20)24)23-9-11-30-28(34-23)32-21-14-31-37(4)17-21/h7-9,11,13-14,17-18,24H,5-6,10,12,15-16H2,1-4H3,(H,33,39)(H,30,32,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324337
(5-(tert-butyl)-N-(2- (2-((1- methyl-1H-pyrazol-4- ...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324338
(N-(2-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)Show SMILES CC(C)(C)c1nc(no1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324339
(N-(2-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)Show SMILES CC(C)(C)c1nnc(o1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324340
(2-isopropyl-N-(2-(2- ((1-methyl-1H-pyrazol-4- yl)a...)Show SMILES CC(C)n1ncc(n1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C25H29N9O/c1-16(2)34-28-14-23(32-34)24(35)30-22-7-5-4-6-17-12-18(8-9-20(17)22)21-10-11-26-25(31-21)29-19-13-27-33(3)15-19/h8-16,22H,4-7H2,1-3H3,(H,30,35)(H,26,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324341
(N- ((5R,8S)-8-fluoro-2-(2- ((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CC[C@H](F)Cc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r| Show InChI InChI=1S/C26H27FN8O2/c1-26(8-9-26)24-33-22(34-37-24)23(36)31-21-6-4-17(27)12-16-11-15(3-5-19(16)21)20-7-10-28-25(32-20)30-18-13-29-35(2)14-18/h3,5,7,10-11,13-14,17,21H,4,6,8-9,12H2,1-2H3,(H,31,36)(H,28,30,32)/t17-,21+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324342
(5-(tert-butyl)-4-methyl- N-(2-(2-((1-methyl-1H- py...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(n2C)C(C)(C)C)cn1 Show InChI InChI=1S/C27H33N9O/c1-27(2,3)25-34-33-23(36(25)5)24(37)31-22-9-7-6-8-17-14-18(10-11-20(17)22)21-12-13-28-26(32-21)30-19-15-29-35(4)16-19/h10-16,22H,6-9H2,1-5H3,(H,31,37)(H,28,30,32) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324343
(1-(tert-butyl)-N-((5R)-8- (2-((1-methyl-1H- pyrazo...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22?,25-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324344
((R)-N-(2-(2-((1-methyl- 1H-pyrazol-4- yl)amino)pyr...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1 |r| Show InChI InChI=1S/C26H28N8O2/c1-26(10-11-26)24-33-32-23(36-24)22(35)30-21-6-4-3-5-16-13-17(7-8-19(16)21)20-9-12-27-25(31-20)29-18-14-28-34(2)15-18/h7-9,12-15,21H,3-6,10-11H2,1-2H3,(H,30,35)(H,27,29,31)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324345
(5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324346
(N-(2-(2-hydroxyethyl)-8- (2-((1-methyl-1H- pyrazol...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1 Show InChI InChI=1S/C27H31N9O3/c1-27(7-8-27)25-34-33-24(39-25)23(38)31-22-6-10-36(11-12-37)15-18-13-17(3-4-20(18)22)21-5-9-28-26(32-21)30-19-14-29-35(2)16-19/h3-5,9,13-14,16,22,37H,6-8,10-12,15H2,1-2H3,(H,31,38)(H,28,30,32) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324347
((R)-5-(tert-butyl)-N-(2- (2-ethoxyethyl)-8- (2-((1...)Show SMILES CCOCCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C29H37N9O3/c1-6-40-14-13-38-12-10-24(33-25(39)26-35-36-27(41-26)29(2,3)4)22-8-7-19(15-20(22)17-38)23-9-11-30-28(34-23)32-21-16-31-37(5)18-21/h7-9,11,15-16,18,24H,6,10,12-14,17H2,1-5H3,(H,33,39)(H,30,32,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324348
(5-(tert-butyl)-N-(2- (2-((1-methyl-1H- pyrazol-4- ...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(s2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8OS/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324349
((R)-5-(tert-butyl)-N-(8- (2-((5,6-dihydro-4H- pyrr...)Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(40)32-22-9-12-37(13-14-39)17-19-15-18(6-7-20(19)22)21-8-10-30-28(33-21)34-23-16-31-38-11-4-5-24(23)38/h6-8,10,15-16,22,39H,4-5,9,11-14,17H2,1-3H3,(H,32,40)(H,30,33,34)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324350
(5-(tert-butyl)-N-(8- hydroxy-2-(2-((1-methyl- 1H-p...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCC(O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O3/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-8-6-18(35)12-16-11-15(5-7-19(16)21)20-9-10-27-25(31-20)29-17-13-28-34(4)14-17/h5,7,9-11,13-14,18,21,35H,6,8,12H2,1-4H3,(H,30,36)(H,27,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324351
((R)-5-(tert-butyl)-N-(2- (2-((5,6-dihydro-4H- pyrr...)Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r| Show InChI InChI=1S/C28H32N8O2/c1-28(2,3)26-34-24(35-38-26)25(37)31-21-8-5-4-7-17-15-18(10-11-19(17)21)20-12-13-29-27(32-20)33-22-16-30-36-14-6-9-23(22)36/h10-13,15-16,21H,4-9,14H2,1-3H3,(H,31,37)(H,29,32,33)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324352
((R)-5-(tert-butyl)-N-(2- (2-((1-methyl-5- (trifluo...)Show SMILES Cn1ncc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)c1C(F)(F)F |r| Show InChI InChI=1S/C27H29F3N8O2/c1-26(2,3)24-36-22(37-40-24)23(39)33-19-8-6-5-7-15-13-16(9-10-17(15)19)18-11-12-31-25(34-18)35-20-14-32-38(4)21(20)27(28,29)30/h9-14,19H,5-8H2,1-4H3,(H,33,39)(H,31,34,35)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK
(Homo sapiens (Human)) | BDBM324350
(5-(tert-butyl)-N-(8- hydroxy-2-(2-((1-methyl- 1H-p...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCC(O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O3/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-8-6-18(35)12-16-11-15(5-7-19(16)21)20-9-10-27-25(31-20)29-17-13-28-34(4)14-17/h5,7,9-11,13-14,18,21,35H,6,8,12H2,1-4H3,(H,30,36)(H,27,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOGEN MA INC.
US Patent
| Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
US Patent US10961237 (2021)
BindingDB Entry DOI: 10.7270/Q2GH9N29 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM324351
((R)-5-(tert-butyl)-N-(2- (2-((5,6-dihydro-4H- pyrr...)Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r| Show InChI InChI=1S/C28H32N8O2/c1-28(2,3)26-34-24(35-38-26)25(37)31-21-8-5-4-7-17-15-18(10-11-19(17)21)20-12-13-29-27(32-20)33-22-16-30-36-14-6-9-23(22)36/h10-13,15-16,21H,4-9,14H2,1-3H3,(H,31,37)(H,29,32,33)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOGEN MA INC.
US Patent
| Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
US Patent US10961237 (2021)
BindingDB Entry DOI: 10.7270/Q2GH9N29 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM324352
((R)-5-(tert-butyl)-N-(2- (2-((1-methyl-5- (trifluo...)Show SMILES Cn1ncc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)c1C(F)(F)F |r| Show InChI InChI=1S/C27H29F3N8O2/c1-26(2,3)24-36-22(37-40-24)23(39)33-19-8-6-5-7-15-13-16(9-10-17(15)19)18-11-12-31-25(34-18)35-20-14-32-38(4)21(20)27(28,29)30/h9-14,19H,5-8H2,1-4H3,(H,33,39)(H,31,34,35)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOGEN MA INC.
US Patent
| Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
US Patent US10961237 (2021)
BindingDB Entry DOI: 10.7270/Q2GH9N29 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM324290
(5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-22(33-36-24)23(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOGEN MA INC.
US Patent
| Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
US Patent US10189829 (2019)
BindingDB Entry DOI: 10.7270/Q2V69MP8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324282
(1-(tert-butyl)-N¿((R)-8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324286
(1-(tert-butyl)-N—((R)-2-((R)-2-hydroxypropyl)...)Show SMILES C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324290
(5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-22(33-36-24)23(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324293
((R)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324297
(5-(tert-butyl)-N-(3-(2-((1-methyl-H-pyrazol-4-yl)a...)Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCCC(NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1 Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(H,26,29,31) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324301
(5-(tert-butyl)-N-(8-(2-((1- methyl-1H-pyrazol-4- y...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-36-22(37-41-24)23(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324304
(5-(1,1-difluoro-2- methylpropan-2-yl)- N-(2-((S)-2...)Show SMILES C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C(F)F)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H33F2N9O3/c1-16(40)13-39-10-8-22(34-23(41)24-36-37-26(42-24)28(2,3)25(29)30)20-6-5-17(11-18(20)14-39)21-7-9-31-27(35-21)33-19-12-32-38(4)15-19/h5-7,9,11-12,15-16,22,25,40H,8,10,13-14H2,1-4H3,(H,34,41)(H,31,33,35)/t16-,22?/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324308
(1-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)| Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(41)33-25-8-10-38(21-12-22(40)13-21)15-19-11-18(5-6-23(19)25)24-7-9-30-28(34-24)32-20-14-31-37(4)16-20/h5-7,9,11,14,16-17,21-22,25,40H,8,10,12-13,15H2,1-4H3,(H,33,41)(H,30,32,34) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 BTK [14-552]
(Homo sapiens (Human)) | BDBM324312
(1-(tert-butyl)-N-(2-((R)- 2-hydroxypropyl)-8-(2- (...)Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24?/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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 | |
Search and Browse
