Found 6 hits with Last Name = 'brauer' and Initial = 'ab' 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 |
|---|
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50211726
(CHEMBL403896 | FR-901451)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3)C(O)=O Show InChI InChI=1S/C61H81N13O18/c1-30(2)23-39-53(81)65-37-17-10-11-21-63-46(76)27-43(61(89)90)71-55(83)41-28-48(78)91-29-44(72-57(85)45-18-12-22-74(45)60(88)42(70-51(37)79)24-33-13-6-5-7-14-33)56(84)66-38(19-20-47(77)92-32(4)50(59(87)69-39)73-58(86)49(62)31(3)75)52(80)67-40(54(82)68-41)26-35-25-34-15-8-9-16-36(34)64-35/h5-9,13-16,25,30-32,37-45,49-50,64,75H,10-12,17-24,26-29,62H2,1-4H3,(H,63,76)(H,65,81)(H,66,84)(H,67,80)(H,68,82)(H,69,87)(H,70,79)(H,71,83)(H,72,85)(H,73,86)(H,89,90)/t31-,32+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+,50+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of human leukocyte elastase |
Bioorg Med Chem 15: 4618-28 (2007)
Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50080264
(1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...)Show SMILES C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C Show InChI InChI=1S/C47H63N9O13/c1-8-28-40(61)51-30-16-17-36(59)56(44(30)65)33(19-26-13-10-9-11-14-26)45(66)55(7)32-20-27-21-34(57)35(58)22-31(27)52-47(68)48-18-12-15-29(50-39(60)24(4)5)41(62)54-38(43(64)49-28)25(6)69-46(67)37(23(2)3)53-42(32)63/h8-11,13-14,21-25,29-30,32-33,36-38,57-59H,12,15-20H2,1-7H3,(H,49,64)(H,50,60)(H,51,61)(H,53,63)(H,54,62)(H2,48,52,68)/b28-8-/t25-,29-,30-,32-,33-,36+,37-,38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of human leukocyte elastase |
Bioorg Med Chem 15: 4618-28 (2007)
Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50211725
((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C51H80N12O15S2/c1-6-8-11-31(52)43(69)58-35-24-79-80-25-39(55-33(51(77)78)22-29-14-16-30(66)17-15-29)59-44(70)32(18-19-38(53)67)56-47(73)36-12-9-20-62(36)49(75)37-13-10-21-63(37)50(76)40(26(3)7-2)60-45(71)34(23-64)57-42(68)27(4)54-48(74)41(28(5)65)61-46(35)72/h14-17,26-28,31-37,39-41,55,64-66H,6-13,18-25,52H2,1-5H3,(H2,53,67)(H,54,74)(H,56,73)(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,61,72)(H,77,78)/t26-,27-,28+,31-,32-,33-,34-,35-,36-,37-,39+,40-,41-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of human leukocyte elastase |
Bioorg Med Chem 15: 4618-28 (2007)
Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50211723
(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6] Show InChI InChI=1S/C66H101N17O18S2/c1-33(2)25-39-55(91)78-44-31-102-103-32-45(77-54(90)38(17-11-21-69-66(67)68)71-49(86)29-70-53(89)40(28-50(87)88)73-59(95)46-18-12-22-81(46)64(100)42(75-57(44)93)27-37-15-9-8-10-16-37)58(94)80-52(36(7)85)62(98)79-51(35(5)6)61(97)76-43(30-84)56(92)74-41(26-34(3)4)63(99)83-24-14-20-48(83)65(101)82-23-13-19-47(82)60(96)72-39/h8-10,15-16,33-36,38-48,51-52,84-85H,11-14,17-32H2,1-7H3,(H,70,89)(H,71,86)(H,72,96)(H,73,95)(H,74,92)(H,75,93)(H,76,97)(H,77,90)(H,78,91)(H,79,98)(H,80,94)(H,87,88)(H4,67,68,69)/t36-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of human leukocyte elastase |
Bioorg Med Chem 15: 4618-28 (2007)
Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50211721
((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C53H84N12O15S2/c1-7-9-12-32(54)44(70)59-36-25-81-82-26-40(56-34(53(79)80)23-30-15-17-31(68)18-16-30)60-45(71)33(19-20-39(55)69)57-48(74)37-13-10-21-64(37)51(77)38-14-11-22-65(38)52(78)42(28(5)8-2)62-46(72)35(24-66)58-50(76)43(29(6)67)63-49(75)41(27(3)4)61-47(36)73/h15-18,27-29,32-38,40-43,56,66-68H,7-14,19-26,54H2,1-6H3,(H2,55,69)(H,57,74)(H,58,76)(H,59,70)(H,60,71)(H,61,73)(H,62,72)(H,63,75)(H,79,80)/t28-,29+,32-,33-,34-,35-,36-,37-,38-,40+,41-,42-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of human leukocyte elastase |
Bioorg Med Chem 15: 4618-28 (2007)
Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50211722
((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...)Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C52H82N12O16S2/c1-6-8-11-31(53)43(70)58-35-24-81-82-25-39(55-33(52(79)80)22-29-14-16-30(68)17-15-29)59-44(71)32(18-19-38(54)69)56-47(74)36-12-9-20-63(36)50(77)37-13-10-21-64(37)51(78)40(26(3)7-2)60-45(72)34(23-65)57-48(75)41(27(4)66)62-49(76)42(28(5)67)61-46(35)73/h14-17,26-28,31-37,39-42,55,65-68H,6-13,18-25,53H2,1-5H3,(H2,54,69)(H,56,74)(H,57,75)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,76)(H,79,80)/t26-,27+,28+,31-,32-,33-,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of human leukocyte elastase |
Bioorg Med Chem 15: 4618-28 (2007)
Article DOI: 10.1016/j.bmc.2007.03.082
BindingDB Entry DOI: 10.7270/Q2D21ZFT |
More data for this
Ligand-Target Pair | |
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