Found 146 hits Enz. Inhib. hit(s) with all data for entry = 11729 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 |
|---|
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
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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
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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
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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
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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
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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
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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
| |
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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
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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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324315
(5-(tert-butyl)-N-(8- (2-((1- methyl-1H-pyrazol-4- ...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324319
((R)-5-(tert-butyl)-N-(2- ethyl-8-(2-((1-methyl- 1H...)Show SMILES CCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| 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)/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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324323
(5-tert-butyl-1,3,4- oxadiazole-2-carboxylic acid {...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| 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)/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
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Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324326
(N-(8-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)Show SMILES CC(C)(C)c1nnc(o1)C(=O)NC1CCN(Cc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1)C1COC1 | 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
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Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324209
(5-(tert-butyl)-N-(7-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324234
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324236
(5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-33-23(34-39-25)24(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324258
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-32-22(33-39-24)23(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324261
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(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
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324262
(5-(tert-butyl)-N-(2-(3-hydroxycyclobutyl)-8-(2-((1...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |(9.26,-11.9,;7.72,-11.9,;6.81,-13.15,;5.35,-12.67,;4.02,-13.44,;2.68,-12.67,;1.35,-13.44,;.01,-12.67,;.01,-11.13,;1.35,-10.36,;2.68,-11.13,;1.35,-8.82,;2.68,-8.05,;2.68,-6.51,;1.35,-5.74,;1.34,-4.22,;.43,-3.23,;-1.1,-3.35,;-1.87,-4.48,;-1.42,-5.95,;.01,-6.51,;.01,-8.05,;-3.4,-4.25,;-4.26,-2.97,;-5.53,-3.83,;-7.05,-3.53,;-4.67,-5.11,;2.67,-3.45,;4,-4.22,;4,-5.76,;5.34,-3.45,;5.34,-1.91,;6.8,-1.43,;7.71,-2.68,;6.8,-3.92,;9.19,-3.08,;9.59,-4.56,;8.42,-1.74,;9.96,-1.74,;5.35,-11.13,;6.81,-10.65,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(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
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UniChem
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324263
(5-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H35N9O3/c1-5-38-15-20(13-31-38)32-28-30-10-8-23(34-28)18-6-7-22-19(12-18)14-37(21-16-40-17-21)11-9-24(22)33-26(39)25-35-27(41-36-25)29(2,3)4/h6-8,10,12-13,15,21,24H,5,9,11,14,16-17H2,1-4H3,(H,33,39)(H,30,32,34) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324264
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-36-26(37-42-28)27(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(H,34,40)(H,31,33,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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AffyNet
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324265
((R)-5-(tert-butyl)-N-(8-(2-((1,5-dimethyl-1H-pyraz...)Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cnn1C |r| Show InChI InChI=1S/C28H35N9O3/c1-17-23(15-30-36(17)5)33-27-29-10-8-21(32-27)18-6-7-20-19(14-18)16-37(12-13-38)11-9-22(20)31-25(39)24-34-26(40-35-24)28(2,3)4/h6-8,10,14-15,22,38H,9,11-13,16H2,1-5H3,(H,31,39)(H,29,32,33)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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UniChem
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324266
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324267
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r| 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)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324268
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-37-36-27(42-28)26(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(H,34,40)(H,31,33,35) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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AffyNet
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324269
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM368378
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324271
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-33-32-23(39-24)22(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)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
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324272
((R)-5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-...)Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H37N9O3/c1-18(2)38-17-21(15-31-38)32-28-30-10-8-23(34-28)19-6-7-22-20(14-19)16-37(12-13-39)11-9-24(22)33-25(40)26-35-36-27(41-26)29(3,4)5/h6-8,10,14-15,17-18,24,39H,9,11-13,16H2,1-5H3,(H,33,40)(H,30,32,34)/t24-/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324273
((R)-5-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...)Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-18(2)39-15-21(13-32-39)33-29-31-10-8-24(35-29)19-6-7-23-20(12-19)14-38(22-16-41-17-22)11-9-25(23)34-26(40)27-36-37-28(42-27)30(3,4)5/h6-8,10,12-13,15,18,22,25H,9,11,14,16-17H2,1-5H3,(H,34,40)(H,31,33,35)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324274
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| 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)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324275
(5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-34-33-24(39-25)23(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(H,31,38)(H,28,30,32) | PDB
MMDB
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UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324276
(5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24-/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324277
(5-(tert-butyl)-N—((R)-2-((S)-2-hydroxypropyl)...)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+/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324278
(5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24+/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324279
(1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H36N10O2/c1-5-38-15-21(13-31-38)32-28-30-10-8-24(34-28)19-6-7-23-20(12-19)14-37(22-17-41-18-22)11-9-25(23)33-27(40)26-16-39(36-35-26)29(2,3)4/h6-8,10,12-13,15-16,22,25H,5,9,11,14,17-18H2,1-4H3,(H,33,40)(H,30,32,34) | PDB
MMDB
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UniProtKB/SwissProt
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM368388
((R)-1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-...)Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H36N10O2/c1-5-38-15-21(13-31-38)32-28-30-10-8-24(34-28)19-6-7-23-20(12-19)14-37(22-17-41-18-22)11-9-25(23)33-27(40)26-16-39(36-35-26)29(2,3)4/h6-8,10,12-13,15-16,22,25H,5,9,11,14,17-18H2,1-4H3,(H,33,40)(H,30,32,34)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324281
((R)-1-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...)Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H38N10O2/c1-19(2)39-15-22(13-32-39)33-29-31-10-8-25(35-29)20-6-7-24-21(12-20)14-38(23-17-42-18-23)11-9-26(24)34-28(41)27-16-40(37-36-27)30(3,4)5/h6-8,10,12-13,15-16,19,23,26H,9,11,14,17-18H2,1-5H3,(H,34,41)(H,31,33,35)/t26-/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
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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
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324284
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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MCE
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324285
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C27H31F3N10O/c1-26(2,3)40-15-23(36-37-40)24(41)34-22-8-10-39(16-27(28,29)30)13-18-11-17(5-6-20(18)22)21-7-9-31-25(35-21)33-19-12-32-38(4)14-19/h5-7,9,11-12,14-15,22H,8,10,13,16H2,1-4H3,(H,34,41)(H,31,33,35)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324287
(1-(tert-butyl)-N—((R)-2-((S)-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+/m0/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324288
((R)-1-(tert-butyl)-N-(2-(2-methoxyethyl)-8-(2-((1-...)Show SMILES COCCN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H36N10O2/c1-28(2,3)38-18-25(34-35-38)26(39)32-24-9-11-37(12-13-40-5)16-20-14-19(6-7-22(20)24)23-8-10-29-27(33-23)31-21-15-30-36(4)17-21/h6-8,10,14-15,17-18,24H,9,11-13,16H2,1-5H3,(H,32,39)(H,29,31,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324289
((R)-5-(tert-butyl)-N-(2-(2,2-difluoroethyl)-8-(2-(...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C27H31F2N9O2/c1-27(2,3)25-36-35-24(40-25)23(39)33-21-8-10-38(15-22(28)29)13-17-11-16(5-6-19(17)21)20-7-9-30-26(34-20)32-18-12-31-37(4)14-18/h5-7,9,11-12,14,21-22H,8,10,13,15H2,1-4H3,(H,33,39)(H,30,32,34)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324291
((R)—N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r| Show InChI InChI=1S/C26H28N8O2/c1-26(10-11-26)24-32-22(33-36-24)23(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
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AffyNet
| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324292
((R)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2cc(ccn2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C27H31N7O2/c1-27(2,3)26-32-24(33-36-26)25(35)31-22-8-6-5-7-19-13-17(9-10-21(19)22)18-11-12-28-23(14-18)30-20-15-29-34(4)16-20/h9-16,22H,5-8H2,1-4H3,(H,28,30)(H,31,35)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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PC sid
UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324294
(3-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-23(36-33-24)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
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324295
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C25H28N8O3/c1-25(2,3)23-32-31-22(36-23)21(34)29-19-6-5-11-35-20-12-15(7-8-17(19)20)18-9-10-26-24(30-18)28-16-13-27-33(4)14-16/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,29,34)(H,26,28,30) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM324296
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C25H28N8O3/c1-25(2,3)23-31-21(32-36-23)22(34)29-19-6-5-11-35-20-12-15(7-8-17(19)20)18-9-10-26-24(30-18)28-16-13-27-33(4)14-16/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,29,34)(H,26,28,30) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein kinase BTK [14-552]
(Homo sapiens (Human)) | BDBM368406
((R)-5-(tert-butyl)-N-(3-(2-((1-methyl-1H-pyrazol-4...)Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCC[C@@H](NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1 |r| 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)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
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UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
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