Found 8 hits with Last Name = 'luo' and Initial = 'kq' 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 |
|---|
Serine protease 1
(Bos taurus (bovine)) | BDBM50124947
(CHEMBL453539)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 mins |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50124947
(CHEMBL453539)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin using N-t-Boc Gln-Ala-Arg-AMC as substrate preincubated with enzyme followed by substrate addition by Dixon plot an... |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50124947
(CHEMBL453539)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo... |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50233907
(CHEMBL4102547)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C88H141N23O21S2/c1-8-49(5)68-81(126)103-60-46-133-134-47-61(77(122)106-70(51(7)114)82(127)97-54(26-14-16-34-90)72(117)100-58(44-112)75(120)105-69(50(6)9-2)87(132)111-40-22-32-66(111)86(131)109-38-20-30-64(109)80(125)104-68)102-73(118)56(41-48(3)4)99-79(124)63-29-19-36-107(63)84(129)59(45-113)101-74(119)57(42-52-23-11-10-12-24-52)95-67(115)43-94-78(123)62-28-18-37-108(62)85(130)65-31-21-39-110(65)83(128)55(27-17-35-93-88(91)92)98-71(116)53(96-76(60)121)25-13-15-33-89/h10-12,23-24,48-51,53-66,68-70,112-114H,8-9,13-22,25-47,89-90H2,1-7H3,(H,94,123)(H,95,115)(H,96,121)(H,97,127)(H,98,116)(H,99,124)(H,100,117)(H,101,119)(H,102,118)(H,103,126)(H,104,125)(H,105,120)(H,106,122)(H4,91,92,93)/t49-,50-,51+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plo... |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50124947
(CHEMBL453539)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r| Show InChI InChI=1S/C67H104N18O18S2/c1-6-35(3)51-62(99)79-44-33-104-105-34-45(78-55(92)39(20-13-25-71-67(69)70)73-49(88)31-72-54(91)41(30-50(89)90)75-60(97)46-21-14-26-83(46)64(101)42(76-58(44)95)29-38-17-9-8-10-18-38)59(96)82-53(37(5)87)63(100)74-40(19-11-12-24-68)56(93)77-43(32-86)57(94)81-52(36(4)7-2)66(103)85-28-16-23-48(85)65(102)84-27-15-22-47(84)61(98)80-51/h8-10,17-18,35-37,39-48,51-53,86-87H,6-7,11-16,19-34,68H2,1-5H3,(H,72,91)(H,73,88)(H,74,100)(H,75,97)(H,76,95)(H,77,93)(H,78,92)(H,79,99)(H,80,98)(H,81,94)(H,82,96)(H,89,90)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Inhibition of bovine beta-trypsin |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50233905
(CHEMBL384721)Show SMILES [H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Antagonist activity against bradykinin B1 receptor in human HeLa cells assessed as inhibition of Des-Arg9-BK-induced increase in intracellular Ca2+ l... |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50233907
(CHEMBL4102547)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C88H141N23O21S2/c1-8-49(5)68-81(126)103-60-46-133-134-47-61(77(122)106-70(51(7)114)82(127)97-54(26-14-16-34-90)72(117)100-58(44-112)75(120)105-69(50(6)9-2)87(132)111-40-22-32-66(111)86(131)109-38-20-30-64(109)80(125)104-68)102-73(118)56(41-48(3)4)99-79(124)63-29-19-36-107(63)84(129)59(45-113)101-74(119)57(42-52-23-11-10-12-24-52)95-67(115)43-94-78(123)62-28-18-37-108(62)85(130)65-31-21-39-110(65)83(128)55(27-17-35-93-88(91)92)98-71(116)53(96-76(60)121)25-13-15-33-89/h10-12,23-24,48-51,53-66,68-70,112-114H,8-9,13-22,25-47,89-90H2,1-7H3,(H,94,123)(H,95,115)(H,96,121)(H,97,127)(H,98,116)(H,99,124)(H,100,117)(H,101,119)(H,102,118)(H,103,126)(H,104,125)(H,105,120)(H,106,122)(H4,91,92,93)/t49-,50-,51+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,68-,69-,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Antagonist activity against bradykinin B1 receptor in human HeLa cells assessed as inhibition of Des-Arg9-BK-induced increase in intracellular Ca2+ l... |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50233906
(CHEMBL4074308)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r| Show InChI InChI=1S/C79H117N23O19S2/c1-44(2)35-50-67(111)98-56-43-123-122-42-55(97-65(109)47(22-11-29-85-78(81)82)89-61(104)39-87-64(108)52(38-63(106)107)94-73(117)58-25-14-31-99(58)75(119)53(95-70(56)114)37-46-19-7-4-8-20-46)69(113)91-48(21-9-10-28-80)66(110)92-49(23-12-30-86-79(83)84)74(118)102-34-16-27-60(102)77(121)101-33-13-24-57(101)71(115)88-40-62(105)90-51(36-45-17-5-3-6-18-45)68(112)96-54(41-103)76(120)100-32-15-26-59(100)72(116)93-50/h3-8,17-20,44,47-60,103H,9-16,21-43,80H2,1-2H3,(H,87,108)(H,88,115)(H,89,104)(H,90,105)(H,91,113)(H,92,110)(H,93,116)(H,94,117)(H,95,114)(H,96,112)(H,97,109)(H,98,111)(H,106,107)(H4,81,82,85)(H4,83,84,86)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description
Antagonist activity against bradykinin B1 receptor in human HeLa cells assessed as inhibition of Des-Arg9-BK-induced increase in intracellular Ca2+ l... |
J Med Chem 60: 504-510 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01011
BindingDB Entry DOI: 10.7270/Q2RJ4MRS |
More data for this
Ligand-Target Pair | |
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