Found 126 hits Enz. Inhib. hit(s) with all data for entry = 50018296 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 |
|---|
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50412352
(CHEMBL5278336)Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39) | PDB
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| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of AChE in organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs homogenates assessed as bimolecular ra... |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50412352
(CHEMBL5278336)Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs homogenates assessed as bimolecular rate... |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50412352
(CHEMBL5278336)Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39) | PDB
MMDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of AChE in organophosphate-susceptible clone of Schizaphis graminum OSS adult or last-instar nymphs homogenates assessed as bimolecular ra... |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50412352
(CHEMBL5278336)Show SMILES CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C32H28ClN3O3/c1-2-3-8-30-35-28-19-25(34-31(37)23-13-15-24(33)16-14-23)17-18-29(28)36(30)20-21-9-11-22(12-10-21)26-6-4-5-7-27(26)32(38)39/h4-7,9-19H,2-3,8,20H2,1H3,(H,34,37)(H,38,39) | PDB
MMDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of AChE in organophosphate-resistant clone of Schizaphis graminum OR1 adult or last-instar nymphs homogenates assessed as bimolecular rate... |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411266
(CHEMBL5284285)Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2n1 Show InChI InChI=1S/C35H45Cl2N7O5S/c1-23-21-24(2)41-32-25(23)9-8-10-28(32)49-22-26-27(36)12-13-29(31(26)37)50(47,48)42-35(14-5-6-15-35)33(46)44-19-17-43(18-20-44)30(45)11-4-3-7-16-40-34(38)39/h8-10,12-13,21,42H,3-7,11,14-20,22H2,1-2H3,(H4,38,39,40) | PDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411267
(CHEMBL5269641)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN)c2n1 Show InChI InChI=1S/C34H44Cl2N6O5S/c1-22-20-23(2)39-31-24(22)8-7-10-28(31)47-21-25-26(35)11-12-29(30(25)36)48(45,46)40-34(13-4-5-14-34)33(44)42-18-16-41(17-19-42)32(43)27(38)9-3-6-15-37/h7-8,10-12,20,27,40H,3-6,9,13-19,21,37-38H2,1-2H3/t27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 2.70E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411268
(CHEMBL5267700)Show SMILES CN1CCC(CC1)(NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl)C(=O)N1CCN(CC1)C(=O)[C@@H](N)CCC[N+](C)(C)C Show InChI InChI=1S/C37H52Cl2N7O5S/c1-25-23-26(2)41-34-27(25)9-7-11-31(34)51-24-28-29(38)12-13-32(33(28)39)52(49,50)42-37(14-16-43(3)17-15-37)36(48)45-20-18-44(19-21-45)35(47)30(40)10-8-22-46(4,5)6/h7,9,11-13,23,30,42H,8,10,14-22,24,40H2,1-6H3/q+1/t30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411269
(CHEMBL5275351)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C35H46Cl2N5O5S/c1-24-22-25(2)38-33-26(24)10-8-11-29(33)47-23-27-28(36)13-14-30(32(27)37)48(45,46)39-35(15-6-7-16-35)34(44)41-19-17-40(18-20-41)31(43)12-9-21-42(3,4)5/h8,10-11,13-14,22,39H,6-7,9,12,15-21,23H2,1-5H3/q+1 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411270
(CHEMBL5272566)Show SMILES CN(C)CCCC[C@H](N(C)C)C(=O)N1CCN(CC1)C(=O)C1(CCCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl Show InChI InChI=1S/C38H52Cl2N6O5S/c1-26-24-27(2)41-35-28(26)12-11-14-32(35)51-25-29-30(39)15-16-33(34(29)40)52(49,50)42-38(17-8-9-18-38)37(48)46-22-20-45(21-23-46)36(47)31(44(5)6)13-7-10-19-43(3)4/h11-12,14-16,24,31,42H,7-10,13,17-23,25H2,1-6H3/t31-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411271
(CHEMBL5267112)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)[C@H](CCCC[N+](C)(C)C)[N+](C)(C)C)c2n1 Show InChI InChI=1S/C40H58Cl2N6O5S/c1-28-26-29(2)43-37-30(28)14-13-16-34(37)53-27-31-32(41)17-18-35(36(31)42)54(51,52)44-40(19-10-11-20-40)39(50)46-23-21-45(22-24-46)38(49)33(48(6,7)8)15-9-12-25-47(3,4)5/h13-14,16-18,26,33,44H,9-12,15,19-25,27H2,1-8H3/q+2/t33-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411272
(CHEMBL5266658)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C36H49Cl2N6O5S/c1-24-22-25(2)40-33-26(24)10-8-12-30(33)49-23-27-28(37)13-14-31(32(27)38)50(47,48)41-36(15-6-7-16-36)35(46)43-19-17-42(18-20-43)34(45)29(39)11-9-21-44(3,4)5/h8,10,12-14,22,29,41H,6-7,9,11,15-21,23,39H2,1-5H3/q+1/t29-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411273
(CHEMBL5273203)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCCC3)C(=O)N3CCN(CC3)C(=O)C[N+](C)(C)C)c2n1 Show InChI InChI=1S/C33H42Cl2N5O5S/c1-22-19-23(2)36-31-24(22)9-8-10-27(31)45-21-25-26(34)11-12-28(30(25)35)46(43,44)37-33(13-6-7-14-33)32(42)39-17-15-38(16-18-39)29(41)20-40(3,4)5/h8-12,19,37H,6-7,13-18,20-21H2,1-5H3/q+1 | PDB
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KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411274
(CHEMBL5282322)Show SMILES CN(C)CCC[C@H](N)CC(=O)N1CCN(CC1)C(=O)C1(CCCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl Show InChI InChI=1S/C36H48Cl2N6O5S/c1-24-21-25(2)40-34-27(24)10-7-11-30(34)49-23-28-29(37)12-13-31(33(28)38)50(47,48)41-36(14-5-6-15-36)35(46)44-19-17-43(18-20-44)32(45)22-26(39)9-8-16-42(3)4/h7,10-13,21,26,41H,5-6,8-9,14-20,22-23,39H2,1-4H3/t26-/m0/s1 | PDB
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411309
(CHEMBL5276559)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](O1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H32NOS/c1-22(2)15-9-14-19(22)20-16-24-21(23-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21+/m0/s1 | PDB
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Similars
| PDB
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411310
(CHEMBL5273690)Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](O1)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H32NOS/c1-22(2)15-9-14-19(22)20-16-24-21(23-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 9.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411330
(CHEMBL5282333)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C51H66N10O12S2/c1-27(2)41(50(72)73)60-48(70)39-26-74-75-51(3,4)42(61-43(65)33(53)24-40(63)64)49(71)58-37(21-28-11-6-5-7-12-28)45(67)57-38(23-30-25-54-34-14-9-8-13-32(30)34)47(69)55-35(15-10-20-52)44(66)56-36(46(68)59-39)22-29-16-18-31(62)19-17-29/h5-9,11-14,16-19,25,27,33,35-39,41-42,54,62H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411331
(CHEMBL5270273)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C49H62N10O12S2/c1-26(2)41(49(70)71)59-48(69)39-25-73-72-24-38(57-42(63)32(51)22-40(61)62)47(68)55-35(19-27-9-4-3-5-10-27)44(65)56-37(21-29-23-52-33-12-7-6-11-31(29)33)46(67)53-34(13-8-18-50)43(64)54-36(45(66)58-39)20-28-14-16-30(60)17-15-28/h3-7,9-12,14-17,23,26,32,34-39,41,52,60H,8,13,18-22,24-25,50-51H2,1-2H3,(H,53,67)(H,54,64)(H,55,68)(H,56,65)(H,57,63)(H,58,66)(H,59,69)(H,61,62)(H,70,71)/t32-,34-,35-,36-,37-,38+,39-,41-/m0/s1 | PDB
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AffyNet
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PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411332
(CHEMBL5270844)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C49H62N10O12S2/c1-26(2)41(49(70)71)59-48(69)39-25-73-72-24-38(57-42(63)32(51)22-40(61)62)47(68)55-35(19-27-9-4-3-5-10-27)44(65)56-37(21-29-23-52-33-12-7-6-11-31(29)33)46(67)53-34(13-8-18-50)43(64)54-36(45(66)58-39)20-28-14-16-30(60)17-15-28/h3-7,9-12,14-17,23,26,32,34-39,41,52,60H,8,13,18-22,24-25,50-51H2,1-2H3,(H,53,67)(H,54,64)(H,55,68)(H,56,65)(H,57,63)(H,58,66)(H,59,69)(H,61,62)(H,70,71)/t32-,34-,35-,36-,37+,38+,39-,41-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411349
(CHEMBL5285781)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1cccs1 Show InChI InChI=1S/C23H27N5O3S/c1-30-18-12-14-15(13-19(18)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)20-8-5-11-32-20/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 9.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411350
(CHEMBL5283991)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(Br)o1 Show InChI InChI=1S/C23H26BrN5O4/c1-31-18-11-13-14(12-19(18)32-2)26-23(27-21(13)25)29-10-9-28(15-5-3-4-6-16(15)29)22(30)17-7-8-20(24)33-17/h7-8,11-12,15-16H,3-6,9-10H2,1-2H3,(H2,25,26,27)/t15-,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 8.70E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411351
(CHEMBL5290299)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1 Show InChI InChI=1S/C24H29N5O4/c1-14-8-9-19(33-14)23(30)28-10-11-29(18-7-5-4-6-17(18)28)24-26-16-13-21(32-3)20(31-2)12-15(16)22(25)27-24/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t17-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411352
(CHEMBL5285743)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccccc1 Show InChI InChI=1S/C25H29N5O3/c1-32-21-14-17-18(15-22(21)33-2)27-25(28-23(17)26)30-13-12-29(19-10-6-7-11-20(19)30)24(31)16-8-4-3-5-9-16/h3-5,8-9,14-15,19-20H,6-7,10-13H2,1-2H3,(H2,26,27,28)/t19-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411353
(CHEMBL5274321)Show SMILES COc1ccc(o1)C(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1 Show InChI InChI=1S/C24H29N5O5/c1-31-19-12-14-15(13-20(19)32-2)26-24(27-22(14)25)29-11-10-28(16-6-4-5-7-17(16)29)23(30)18-8-9-21(33-3)34-18/h8-9,12-13,16-17H,4-7,10-11H2,1-3H3,(H2,25,26,27)/t16-,17+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411354
(CHEMBL5273898)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(o1)C(C)=O Show InChI InChI=1S/C25H29N5O5/c1-14(31)19-8-9-20(35-19)24(32)29-10-11-30(18-7-5-4-6-17(18)29)25-27-16-13-22(34-3)21(33-2)12-15(16)23(26)28-25/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3,(H2,26,27,28)/t17-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411355
(CHEMBL5282155)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(CC)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H69N11O11S2/c1-8-24(5)36-42(65)50-27(14-15-32(45)56)38(61)51-30(20-33(46)57)39(62)52-31(41(64)55-44(6,7)43(66)53-28(18-23(3)4)37(60)48-21-34(47)58)22-68-67-17-16-35(59)49-29(40(63)54-36)19-26-12-10-25(9-2)11-13-26/h10-13,23-24,27-31,36H,8-9,14-22H2,1-7H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,65)(H,51,61)(H,52,62)(H,53,66)(H,54,63)(H,55,64)/t24-,27-,28-,29-,30-,31-,36?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411357
(CHEMBL5290717)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(CC)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H69N11O11S2/c1-8-24(5)36-42(65)50-27(14-15-32(45)56)38(61)51-30(20-33(46)57)39(62)52-31(41(64)55-44(6,7)43(66)53-28(18-23(3)4)37(60)48-21-34(47)58)22-68-67-17-16-35(59)49-29(40(63)54-36)19-26-12-10-25(9-2)11-13-26/h10-13,23-24,27-31,36H,8-9,14-22H2,1-7H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,65)(H,51,61)(H,52,62)(H,53,66)(H,54,63)(H,55,64)/t24-,27-,28-,29+,30-,31-,36?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411358
(CHEMBL5268053)Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C45H70N12O12S2/c1-6-24(5)37-44(67)51-28(14-15-34(47)58)40(63)53-31(19-35(48)59)41(64)55-32(45(68)57-16-8-9-33(57)43(66)54-29(17-23(3)4)39(62)50-20-36(49)60)22-71-70-21-27(46)38(61)52-30(42(65)56-37)18-25-10-12-26(13-11-25)69-7-2/h10-13,23-24,27-33,37H,6-9,14-22,46H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,67)(H,52,61)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t24-,27-,28-,29-,30+,31-,32-,33-,37?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411359
(CHEMBL5284407)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(CC)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C45H69N11O11S2/c1-6-25(5)38-44(66)51-28(14-15-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-68-18-16-37(60)50-30(42(64)55-38)20-27-12-10-26(7-2)11-13-27)45(67)56-17-8-9-33(56)43(65)53-29(19-24(3)4)39(61)49-22-36(48)59/h10-13,24-25,28-33,38H,6-9,14-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30+,31-,32-,33-,38?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411360
(CHEMBL5268432)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(CC)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C45H70N12O11S2/c1-6-24(5)37-44(67)51-28(14-15-34(47)58)40(63)53-31(19-35(48)59)41(64)55-32(45(68)57-16-8-9-33(57)43(66)54-29(17-23(3)4)39(62)50-20-36(49)60)22-70-69-21-27(46)38(61)52-30(42(65)56-37)18-26-12-10-25(7-2)11-13-26/h10-13,23-24,27-33,37H,6-9,14-22,46H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,67)(H,52,61)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t24-,27-,28-,29-,30+,31-,32-,33-,37?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411363
(CHEMBL5277702)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O Show InChI InChI=1S/C83H140N32O21/c1-45(67(124)106-54(27-17-35-97-80(91)92)70(127)107-51(24-11-14-32-84)69(126)110-55(28-18-36-98-81(93)94)71(128)108-52(25-12-15-33-85)72(129)111-58(40-61(89)119)75(132)105-50(66(90)123)30-31-60(88)118)103-77(134)59(44-116)112-73(130)53(26-13-16-34-86)109-74(131)56(29-19-37-99-82(95)96)113-79(136)83(3,4)115-64(122)43-102-78(135)65(46(2)117)114-76(133)57(39-48-22-9-6-10-23-48)104-63(121)42-100-62(120)41-101-68(125)49(87)38-47-20-7-5-8-21-47/h5-10,20-23,45-46,49-59,65,116-117H,11-19,24-44,84-87H2,1-4H3,(H2,88,118)(H2,89,119)(H2,90,123)(H,100,120)(H,101,125)(H,102,135)(H,103,134)(H,104,121)(H,105,132)(H,106,124)(H,107,127)(H,108,128)(H,109,131)(H,110,126)(H,111,129)(H,112,130)(H,113,136)(H,114,133)(H,115,122)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411432
(CHEMBL5266727)Show SMILES Cc1sc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C22H33N3OS/c1-15-20(9-19(27-15)13-25-4-2-23-3-5-25)21(26)24-14-22-10-16-6-17(11-22)8-18(7-16)12-22/h9,16-18,23H,2-8,10-14H2,1H3,(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411433
(CHEMBL5285627)Show SMILES Clc1cccc(OC2CCNCC2)c1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H31ClN2O2/c24-19-2-1-3-20(28-18-4-6-25-7-5-18)21(19)22(27)26-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-3,15-18,25H,4-14H2,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
| | n/a | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411434
(CHEMBL5281654)Show SMILES Clc1c(CN2CCCCC2)cccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C24H33ClN2O/c25-22-20(15-27-7-2-1-3-8-27)5-4-6-21(22)23(28)26-16-24-12-17-9-18(13-24)11-19(10-17)14-24/h4-6,17-19H,1-3,7-16H2,(H,26,28) | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411438
(CHEMBL5265979)Show SMILES Cc1oc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C22H33N3O2/c1-15-20(9-19(27-15)13-25-4-2-23-3-5-25)21(26)24-14-22-10-16-6-17(11-22)8-18(7-16)12-22/h9,16-18,23H,2-8,10-14H2,1H3,(H,24,26) | PDB
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UniChem
| | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411440
(CHEMBL5274675)Show SMILES Clc1ccc(CN2CC3CNCC(C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27| Show InChI InChI=1S/C25H34ClN3O2/c26-23-2-1-16(12-29-13-20-10-27-11-21(14-29)31-20)6-22(23)24(30)28-15-25-7-17-3-18(8-25)5-19(4-17)9-25/h1-2,6,17-21,27H,3-5,7-15H2,(H,28,30) | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411561
(CHEMBL5266393)Show SMILES CCc1ccccc1N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H32N2O5S/c1-5-22-8-6-7-9-24(22)29(35(31,32)23-13-10-20(2)11-14-23)19-27(30)28-17-16-21-12-15-25(33-3)26(18-21)34-4/h6-15,18H,5,16-17,19H2,1-4H3,(H,28,30) | PDB
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PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411964
(CHEMBL5290467)Show SMILES [H]C12CCN(CC1)C[C@]2(OC)C#C[C@@](O)(C1CCCCCC1)c1ccccc1 |wU:13.15,8.10,wD:13.24,8.12,TLB:11:8:3.2:5.6,THB:9:8:3.2:5.6,(-2.17,-8.46,;-1.07,-9.56,;.28,-10.17,;.56,-11.56,;-.81,-10.93,;-.56,-9.03,;-1,-7.93,;-2.35,-11.59,;-2.54,-10.21,;-3.33,-8.87,;-4.87,-8.88,;-3.64,-11.29,;-4.74,-12.38,;-5.83,-13.46,;-6.93,-14.54,;-6.92,-12.37,;-8.37,-12.86,;-9.68,-12.04,;-9.85,-10.51,;-8.75,-9.31,;-7.22,-9.61,;-6.41,-10.91,;-4.75,-14.56,;-5.16,-16.04,;-4.08,-17.13,;-2.59,-16.74,;-2.18,-15.25,;-3.27,-14.16,)| Show InChI InChI=1S/C24H33NO2/c1-27-23(19-25-17-13-20(23)14-18-25)15-16-24(26,22-11-7-4-8-12-22)21-9-5-2-3-6-10-21/h4,7-8,11-12,20-21,26H,2-3,5-6,9-10,13-14,17-19H2,1H3/t23-,24-/m1/s1 | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411965
(CHEMBL5269269)Show SMILES [H]C12CCN(CC1)C[C@]2(OC)C#C[C@@](O)(C1CCCCCCC1)c1ccccc1 |wU:13.15,8.10,wD:13.25,8.12,TLB:11:8:3.2:5.6,THB:9:8:3.2:5.6,(29.23,-7.12,;30.33,-8.22,;31.68,-8.83,;31.96,-10.22,;30.59,-9.59,;30.84,-7.69,;30.4,-6.58,;29.06,-10.25,;28.86,-8.87,;28.07,-7.53,;26.53,-7.54,;27.76,-9.95,;26.66,-11.04,;25.57,-12.12,;24.47,-13.2,;24.48,-11.03,;25.08,-9.62,;24.5,-8.19,;23.08,-7.59,;21.65,-8.18,;20.88,-9.59,;21.64,-11.02,;23.06,-11.62,;26.65,-13.22,;26.24,-14.7,;27.32,-15.79,;28.81,-15.4,;29.22,-13.91,;28.13,-12.82,)| Show InChI InChI=1S/C25H35NO2/c1-28-24(20-26-18-14-21(24)15-19-26)16-17-25(27,23-12-8-5-9-13-23)22-10-6-3-2-4-7-11-22/h5,8-9,12-13,21-22,27H,2-4,6-7,10-11,14-15,18-20H2,1H3/t24-,25-/m1/s1 | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411968
(CHEMBL5268349)Show SMILES OC(=O)c1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(c3ccccc3)C2=O)c1 Show InChI InChI=1S/C29H27N5O6/c35-25(30-21-10-8-9-20(17-21)27(37)38)18-33-28(39)32(19-26(36)31-15-6-7-16-31)23-13-4-5-14-24(23)34(29(33)40)22-11-2-1-3-12-22/h1-5,8-14,17H,6-7,15-16,18-19H2,(H,30,35)(H,37,38) | PDB
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PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411969
(CHEMBL5290098)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CCCC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O Show InChI InChI=1S/C32H38N6O6/c1-32(2,3)26(39)20-37-24-15-7-8-16-25(24)38(23-13-5-4-6-14-23)31(43)36(30(37)42)18-10-17-27(40)33-22-12-9-11-21(19-22)28-34-29(41)44-35-28/h7-9,11-12,15-16,19,23H,4-6,10,13-14,17-18,20H2,1-3H3,(H,33,40)(H,34,35,41) | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411970
(CHEMBL5286035)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O Show InChI InChI=1S/C30H34N6O6/c1-30(2,3)24(37)17-34-22-14-7-8-15-23(22)36(21-12-5-4-6-13-21)29(41)35(28(34)40)18-25(38)31-20-11-9-10-19(16-20)26-32-27(39)42-33-26/h7-11,14-16,21H,4-6,12-13,17-18H2,1-3H3,(H,31,38)(H,32,33,39) | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411971
(CHEMBL5289065)Show SMILES CN(c1nnn[nH]1)c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 Show InChI InChI=1S/C30H37N9O4/c1-30(2,3)25(40)18-37-23-15-8-9-16-24(23)39(21-12-6-5-7-13-21)29(43)38(28(37)42)19-26(41)31-20-11-10-14-22(17-20)36(4)27-32-34-35-33-27/h8-11,14-17,21H,5-7,12-13,18-19H2,1-4H3,(H,31,41)(H,32,33,34,35) | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 5.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of carbonic anhydrase 2 assessed as inhibition of carbon dioxide hydration |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411972
(CHEMBL5271929)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(SCC(O)=O)c2)C1=O Show InChI InChI=1S/C31H38N4O6S/c1-31(2,3)26(36)18-33-24-15-8-9-16-25(24)35(22-12-6-4-5-7-13-22)30(41)34(29(33)40)19-27(37)32-21-11-10-14-23(17-21)42-20-28(38)39/h8-11,14-17,22H,4-7,12-13,18-20H2,1-3H3,(H,32,37)(H,38,39) | PDB
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UniChem
| PDB
| n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CD69 receptor expressed in Escherichia coli by equilibrium dialysis |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411973
(CHEMBL5286558)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(CC(O)=O)c2)C1=O Show InChI InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-15-8-9-16-25(24)35(23-13-6-4-5-7-14-23)30(41)34(29(33)40)20-27(37)32-22-12-10-11-21(17-22)18-28(38)39/h8-12,15-17,23H,4-7,13-14,18-20H2,1-3H3,(H,32,37)(H,38,39) | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human monomeric CD69 receptor expressed in Escherichia coli by equilibrium dialysis |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411974
(CHEMBL5288864)Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 Show InChI InChI=1S/C32H37N5O4S/c1-21-33-25(20-42-21)22-11-10-12-23(17-22)34-29(39)19-36-30(40)35(18-28(38)32(2,3)4)26-15-8-9-16-27(26)37(31(36)41)24-13-6-5-7-14-24/h8-12,15-17,20,24H,5-7,13-14,18-19H2,1-4H3,(H,34,39) | PDB
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UniChem
| | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human dimeric CD69 receptor expressed in Escherichia coli by equilibrium dialysis |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411975
(CHEMBL5270943)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O Show InChI InChI=1S/C31H36N6O6/c1-31(2,3)25(38)18-35-23-15-8-9-16-24(23)37(22-13-6-4-5-7-14-22)30(42)36(29(35)41)19-26(39)32-21-12-10-11-20(17-21)27-33-28(40)43-34-27/h8-12,15-17,22H,4-7,13-14,18-19H2,1-3H3,(H,32,39)(H,33,34,40) | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Manduca sexta V-ATPase V1/Vo holoenzyme activity assessed as inorganic phosphate production pretreated for 5 mins |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411976
(CHEMBL5273795)Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(CCC(O)=O)c2)C1=O Show InChI InChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-14-7-8-15-25(24)35(23-12-5-4-6-13-23)30(41)34(29(33)40)20-27(37)32-22-11-9-10-21(18-22)16-17-28(38)39/h7-11,14-15,18,23H,4-6,12-13,16-17,19-20H2,1-3H3,(H,32,37)(H,38,39) | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Manduca sexta V-ATPase V1/Vo holoenzyme activity assessed as inorganic phosphate production pretreated for 5 mins |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50411977
(CHEMBL5280865)Show SMILES CNc1cccc(NC(=O)CN2C(=O)N(CC(=O)C(C)(C)C)c3ccccc3N(C3CCCCC3)C2=O)c1 Show InChI InChI=1S/C29H37N5O4/c1-29(2,3)25(35)18-32-23-15-8-9-16-24(23)34(22-13-6-5-7-14-22)28(38)33(27(32)37)19-26(36)31-21-12-10-11-20(17-21)30-4/h8-12,15-17,22,30H,5-7,13-14,18-19H2,1-4H3,(H,31,36) | PDB
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UniChem
Similars
| | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Manduca sexta V-ATPase V1/Vo holoenzyme activity assessed as inorganic phosphate production pretreated for 5 mins |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50412084
(CHEMBL5282742)Show SMILES COC(=O)c1cc2C[C@](C)(O)CC(=O)C(O)\C(=C/C[C@@H](Cc1o2)C(C)=C)C(=O)OC |r,c:16| Show InChI InChI=1S/C22H28O8/c1-12(2)13-6-7-15(20(25)28-4)19(24)17(23)11-22(3,27)10-14-9-16(21(26)29-5)18(8-13)30-14/h7,9,13,19,24,27H,1,6,8,10-11H2,2-5H3/b15-7+/t13-,19?,22-/m0/s1 | PDB
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UniChem
| | n/a | n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Manduca sexta V-ATPase V1/Vo holoenzyme activity assessed as inorganic phosphate production pretreated for 5 mins |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 5
(Homo sapiens (Human)) | BDBM50412088
(CHEMBL5279202)Show SMILES COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)[C@@H]5O[C@@H]5C(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r| Show InChI InChI=1S/C29H34O10/c1-25(2)23-21(38-23)22(30)27(4)28(25,32)9-8-26(3)29(27,33)13-15-17(39-26)12-16(37-24(15)31)14-10-18(34-5)20(36-7)19(11-14)35-6/h10-12,21,23,32-33H,8-9,13H2,1-7H3/t21-,23-,26-,27+,28-,29-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Manduca sexta V-ATPase V1/Vo holoenzyme activity assessed as inorganic phosphate production pretreated for 5 mins |
Citation and Details
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More data for this
Ligand-Target Pair | |
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