Found 177 hits with Last Name = 'karoli' and Initial = 't' 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 |
|---|
Heparanase
(Homo sapiens (Human)) | BDBM50388329
(CHEMBL2059500)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C54H91N3O60S13/c1-24(2)7-6-8-25(3)30-11-12-31-29-10-9-26-17-28(13-15-53(26,4)32(29)14-16-54(30,31)5)97-19-27-18-57(56-55-27)49-45(114-127(85,86)87)41(110-123(73,74)75)37(33(102-49)20-98-118(58,59)60)106-50-46(115-128(88,89)90)42(111-124(76,77)78)38(34(103-50)21-99-119(61,62)63)107-51-47(116-129(91,92)93)43(112-125(79,80)81)39(35(104-51)22-100-120(64,65)66)108-52-48(117-130(94,95)96)44(113-126(82,83)84)40(109-122(70,71)72)36(105-52)23-101-121(67,68)69/h18,24-26,28-52H,6-17,19-23H2,1-5H3,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/p-13/t25-,26+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388343
(CHEMBL2059243)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C63H107N3O75S16/c1-28(2)8-6-9-29(3)34-12-13-35-33-11-10-30-20-32(14-16-62(30,4)36(33)15-17-63(34,35)5)116-22-31-21-66(65-64-31)18-7-19-115-57-52(50(136-152(97,98)99)45(134-150(91,92)93)40(122-57)26-120-145(76,77)78)130-60-55(140-156(109,110)111)49(44(133-149(88,89)90)39(125-60)25-119-144(73,74)75)128-58-53(138-154(103,104)105)47(42(131-147(82,83)84)37(123-58)23-117-142(67,68)69)127-59-54(139-155(106,107)108)48(43(132-148(85,86)87)38(124-59)24-118-143(70,71)72)129-61-56(141-157(112,113)114)51(137-153(100,101)102)46(135-151(94,95)96)41(126-61)27-121-146(79,80)81/h21,28-30,32-61H,6-20,22-27H2,1-5H3,(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)/p-16/t29-,30+,32+,33+,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62+,63-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388341
(CHEMBL2059241)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(40(107-120(76,77)78)36(105-118(70,71)72)32(96-46)20-93-114(58,59)60)102-48-44(110-123(85,86)87)39(35(104-117(67,68)69)31(98-48)19-92-113(55,56)57)100-47-43(109-122(82,83)84)38(34(103-116(64,65)66)30(97-47)18-91-112(52,53)54)101-49-45(111-124(88,89)90)41(108-121(79,80)81)37(106-119(73,74)75)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388342
(CHEMBL2059242)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C45H83NO61S13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29(47)46-19-17-20-87-42-38(36(103-116(72,73)74)32(101-114(66,67)68)27(92-42)23-90-110(54,55)56)98-44-40(106-119(81,82)83)35(31(100-113(63,64)65)26(94-44)22-89-109(51,52)53)96-43-39(105-118(78,79)80)34(30(99-112(60,61)62)25(93-43)21-88-108(48,49)50)97-45-41(107-120(84,85)86)37(104-117(75,76)77)33(102-115(69,70)71)28(95-45)24-91-111(57,58)59/h25-28,30-45H,2-24H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)/p-13/t25-,26-,27-,28-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388331
(CHEMBL2059499)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388345
(CHEMBL2059245)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C45H78O46S10/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-17-24(13-15-44(23,4)28(25)14-16-45(26,27)5)79-41-38(36(88-98(64,65)66)33(86-96(58,59)60)30(80-41)19-77-93(49,50)51)84-42-39(90-100(70,71)72)35(32(85-95(55,56)57)29(81-42)18-76-92(46,47)48)83-43-40(91-101(73,74)75)37(89-99(67,68)69)34(87-97(61,62)63)31(82-43)20-78-94(52,53)54/h21-43H,6-20H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/p-10/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50378647
(CHEMBL1627122 | PI-88)Show SMILES [O-]P([O-])(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]3[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]4[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@H]5[C@@H](OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C30H53O77PS16/c31-108(32,33)82-1-6-14(99-116(55,56)57)20(102-119(64,65)66)25(106-123(76,77)78)29(87-6)94-17-12(97-114(49,50)51)8(3-84-110(37,38)39)89-27(23(17)104-121(70,71)72)92-16-11(96-113(46,47)48)7(2-83-109(34,35)36)88-26(22(16)103-120(67,68)69)93-18-13(98-115(52,53)54)9(4-85-111(40,41)42)90-28(24(18)105-122(73,74)75)95-21-19(101-118(61,62)63)15(100-117(58,59)60)10(5-86-112(43,44)45)91-30(21)107-124(79,80)81/h6-30H,1-5H2,(H2,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-18/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388332
(CHEMBL2059498)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(99-109(76,77)78)41(38(95-105(64,65)66)35(90-47)23-87-102(55,56)57)93-48-45(100-110(79,80)81)42(39(96-106(67,68)69)36(91-48)24-88-103(58,59)60)94-49-46(101-111(82,83)84)43(98-108(73,74)75)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/m1/s1 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388346
(CHEMBL2059246)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(42(98-108(73,74)75)39(96-106(67,68)69)36(90-47)24-88-103(58,59)60)94-48-45(100-110(79,80)81)41(38(95-105(64,65)66)35(91-48)23-87-102(55,56)57)93-49-46(101-111(82,83)84)43(99-109(76,77)78)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388336
(CHEMBL2059504)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C45H83NO61S13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29(47)46-19-17-20-87-42-38(104-117(75,76)77)34(100-113(63,64)65)30(25(92-42)21-88-108(48,49)50)96-43-39(105-118(78,79)80)35(101-114(66,67)68)31(26(93-43)22-89-109(51,52)53)97-44-40(106-119(81,82)83)36(102-115(69,70)71)32(27(94-44)23-90-110(54,55)56)98-45-41(107-120(84,85)86)37(103-116(72,73)74)33(99-112(60,61)62)28(95-45)24-91-111(57,58)59/h25-28,30-45H,2-24H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)/p-13/t25-,26-,27-,28-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388335
(CHEMBL2059503)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C45H78O46S10/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-17-24(13-15-44(23,4)28(25)14-16-45(26,27)5)79-41-38(89-99(67,68)69)35(86-96(58,59)60)32(29(80-41)18-76-92(46,47)48)83-42-39(90-100(70,71)72)36(87-97(61,62)63)33(30(81-42)19-77-93(49,50)51)84-43-40(91-101(73,74)75)37(88-98(64,65)66)34(85-95(55,56)57)31(82-43)20-78-94(52,53)54/h21-43H,6-20H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/p-10/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-,44+,45-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388330
(CHEMBL2059247)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C45H78O46S10/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-17-24(13-15-44(23,4)28(25)14-16-45(26,27)5)79-41-38(89-99(67,68)69)35(32(85-95(55,56)57)29(80-41)18-76-92(46,47)48)83-42-39(90-100(70,71)72)36(33(86-96(58,59)60)30(81-42)19-77-93(49,50)51)84-43-40(91-101(73,74)75)37(88-98(64,65)66)34(87-97(61,62)63)31(82-43)20-78-94(52,53)54/h21-43H,6-20H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/p-10/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388328
(CHEMBL2059505)Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C39H73NO47S10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-27(41)40-19-17-20-72-37-34(85-95(63,64)65)31(82-92(54,55)56)28(24(76-37)21-73-88(42,43)44)79-38-35(86-96(66,67)68)32(83-93(57,58)59)29(25(77-38)22-74-89(45,46)47)80-39-36(87-97(69,70)71)33(84-94(60,61)62)30(81-91(51,52)53)26(78-39)23-75-90(48,49)50/h24-26,28-39H,2-23H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-10/t24-,25-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-/m1/s1 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388334
(CHEMBL2059501)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C48H83N3O46S10/c1-23(2)7-6-8-24(3)29-11-12-30-28-10-9-25-17-27(13-15-47(25,4)31(28)14-16-48(29,30)5)82-19-26-18-51(50-49-26)44-41(95-105(73,74)75)38(92-102(64,65)66)35(32(86-44)20-83-98(52,53)54)89-45-42(96-106(76,77)78)39(93-103(67,68)69)36(33(87-45)21-84-99(55,56)57)90-46-43(97-107(79,80)81)40(94-104(70,71)72)37(91-101(61,62)63)34(88-46)22-85-100(58,59)60/h18,23-25,27-46,101H,6-17,19-22H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-10/t24-,25+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-/m1/s1 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388333
(CHEMBL2059502)Show SMILES C[C@H](CCC(=O)N[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OS([O-])(=O)=O |r| Show InChI InChI=1S/C50H83NO66S14/c1-19(24-8-9-25-23-7-6-21-13-22(108-122(66,67)68)11-12-49(21,3)26(23)14-31(50(24,25)4)100-20(2)52)5-10-32(53)51-45-41(114-128(84,85)86)37(110-124(72,73)74)33(27(101-45)15-96-118(54,55)56)105-46-42(115-129(87,88)89)38(111-125(75,76)77)34(28(102-46)16-97-119(57,58)59)106-47-43(116-130(90,91)92)39(112-126(78,79)80)35(29(103-47)17-98-120(60,61)62)107-48-44(117-131(93,94)95)40(113-127(81,82)83)36(109-123(69,70)71)30(104-48)18-99-121(63,64)65/h19,21-31,33-48H,5-18H2,1-4H3,(H,51,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)/p-14/t19-,21+,22+,23+,24-,25+,26+,27-,28-,29-,30-,31+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,50-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388344
(CHEMBL2059244)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C39H68O32S7/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-23(13-15-38(22,4)27(24)14-16-39(25,26)5)63-36-34(32(69-76(52,53)54)30(67-74(46,47)48)28(64-36)18-61-72(40,41)42)66-37-35(71-78(58,59)60)33(70-77(55,56)57)31(68-75(49,50)51)29(65-37)19-62-73(43,44)45/h20-37H,6-19H2,1-5H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-7/t21-,22+,23+,24+,25-,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-/m1/s1 | PDB
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UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 22.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388340
(CHEMBL2059510)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C42H71N3O32S7/c1-22(2)7-6-8-23(3)28-11-12-29-27-10-9-24-17-26(13-15-41(24,4)30(27)14-16-42(28,29)5)67-19-25-18-45(44-43-25)39-37(76-83(61,62)63)35(74-81(55,56)57)33(31(70-39)20-68-78(46,47)48)72-40-38(77-84(64,65)66)36(75-82(58,59)60)34(73-80(52,53)54)32(71-40)21-69-79(49,50)51/h18,22-24,26-40H,6-17,19-21H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-7/t23-,24+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-/m1/s1 | PDB
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50388338
(CHEMBL2059508)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C33H58O18S4/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)47-31-30(51-55(43,44)45)29(50-54(40,41)42)28(49-53(37,38)39)27(48-31)18-46-52(34,35)36/h19-31H,6-18H2,1-5H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)/p-4/t20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay |
J Med Chem 55: 3804-13 (2012)
Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093001
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093003
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093003
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Leucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50093005
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...)Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093004
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(=O)OC |c:26| Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093002
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(=O)OCc1ccccc1 |c:26| Show InChI InChI=1S/C26H37N5O8S/c1-4-15(2)22(27)24(35)30-40(37,38)14-21(33)29-26(25(36)39-13-16-8-6-5-7-9-16)19-12-31(3)11-18(23(28)34)17(19)10-20(26)32/h5-9,11,15,17,19-20,22,32H,4,10,12-14,27H2,1-3H3,(H2,28,34)(H,29,33)(H,30,35)/t15-,17-,19+,20-,22-,26+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Valine--tRNA ligase
(Homo sapiens (Human)) | BDBM50093001
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093001
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093004
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(=O)OC |c:26| Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093005
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...)Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093002
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(=O)OCc1ccccc1 |c:26| Show InChI InChI=1S/C26H37N5O8S/c1-4-15(2)22(27)24(35)30-40(37,38)14-21(33)29-26(25(36)39-13-16-8-6-5-7-9-16)19-12-31(3)11-18(23(28)34)17(19)10-20(26)32/h5-9,11,15,17,19-20,22,32H,4,10,12-14,27H2,1-3H3,(H2,28,34)(H,29,33)(H,30,35)/t15-,17-,19+,20-,22-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis |
Bioorg Med Chem Lett 22: 2428-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.019
BindingDB Entry DOI: 10.7270/Q27082FG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Valine--tRNA ligase
(Homo sapiens (Human)) | BDBM50093003
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor 1
(Homo sapiens (Human)) | BDBM50374504
(CHEMBL258321)Show SMILES CCCOC(=O)[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O[C@H]2O[C@@H]([C@H](O[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3N)[C@@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@@H]1N Show InChI InChI=1S/C26H44N2O20/c1-2-3-41-23(40)20-18(12(33)14(35)22(39)44-20)47-25-9(28)11(32)16(7(4-29)43-25)45-26-15(36)13(34)17(19(48-26)21(37)38)46-24-8(27)10(31)6(30)5-42-24/h6-20,22,24-26,29-36,39H,2-5,27-28H2,1H3,(H,37,38)/t6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,22-,24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description
Binding affinity at FGF1 |
Bioorg Med Chem Lett 18: 344-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.071
BindingDB Entry DOI: 10.7270/Q24B326Z |
More data for this
Ligand-Target Pair | |
Valine--tRNA ligase
(Homo sapiens (Human)) | BDBM50093005
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...)Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50380095
(CHEMBL2012911)Show InChI InChI=1S/C14H17N5O2/c1-20-11-6-8(5-10-12(11)21-3-2-17-10)4-9-7-18-14(16)19-13(9)15/h5-7,17H,2-4H2,1H3,(H4,15,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis |
Bioorg Med Chem Lett 22: 2428-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.019
BindingDB Entry DOI: 10.7270/Q27082FG |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093006
((4aR,6S,7R,7aS)-6-((2S,3S)-2-Benzyloxycarbonylamin...)Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@H](C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)OC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)OC |c:36| Show InChI InChI=1S/C42H56N6O13S/c1-7-25(3)34(44-40(54)59-22-27-15-11-9-12-16-27)37(51)47-62(56,57)24-33(49)46-42(39(53)58-6)31-21-48(5)20-30(36(43)50)29(31)19-32(42)61-38(52)35(26(4)8-2)45-41(55)60-23-28-17-13-10-14-18-28/h9-18,20,25-26,29,31-32,34-35H,7-8,19,21-24H2,1-6H3,(H2,43,50)(H,44,54)(H,45,55)(H,46,49)(H,47,51)/t25-,26-,29-,31+,32-,34-,35-,42+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093005
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...)Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Leucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50093003
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:26| Show InChI InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50179253
((2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-2-{[(2R,3S,4...)Show SMILES CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O Show InChI InChI=1S/C38H68O26/c1-2-3-4-5-6-7-8-55-38-33(25(50)20(45)15(10-40)60-38)64-37-29(54)32(23(48)18(13-43)59-37)63-36-28(53)31(22(47)17(12-42)58-36)62-35-27(52)30(21(46)16(11-41)57-35)61-34-26(51)24(49)19(44)14(9-39)56-34/h14-54H,2-13H2,1H3/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Industries Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay |
J Med Chem 48: 8229-36 (2005)
Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50179254
((2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-2-{[(2R,3S,4...)Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H58O26/c38-6-13-18(43)23(48)25(50)33(55-13)60-29-20(45)15(8-40)56-34(26(29)51)61-30-21(46)16(9-41)57-35(27(30)52)62-31-22(47)17(10-42)58-36(28(31)53)63-32-24(49)19(44)14(7-39)59-37(32)54-11-12-4-2-1-3-5-12/h1-5,13-53H,6-11H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Industries Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay |
J Med Chem 48: 8229-36 (2005)
Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50179256
(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d...)Show SMILES OC[C@H]1O[C@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C46H78N4O28S/c51-10-17-27(59)32(64)40(41(70-17)49-24(57)8-2-1-5-9-47-23(56)7-4-3-6-22-25-16(15-79-22)48-46(69)50-25)78-45-36(68)39(30(62)21(14-55)74-45)77-44-35(67)38(29(61)20(13-54)73-44)76-43-34(66)37(28(60)19(12-53)72-43)75-42-33(65)31(63)26(58)18(11-52)71-42/h16-22,25-45,51-55,58-68H,1-15H2,(H,47,56)(H,49,57)(H2,48,50,69)/t16-,17+,18+,19+,20+,21+,22-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Industries Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay |
J Med Chem 48: 8229-36 (2005)
Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50179255
(CHEMBL265885 | N-[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5...)Show SMILES OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C38H59NO27/c40-6-13-20(47)25(52)33(34(58-13)39-18(45)11-57-12-4-2-1-3-5-12)66-38-29(56)32(23(50)17(10-44)62-38)65-37-28(55)31(22(49)16(9-43)61-37)64-36-27(54)30(21(48)15(8-42)60-36)63-35-26(53)24(51)19(46)14(7-41)59-35/h1-5,13-17,19-38,40-44,46-56H,6-11H2,(H,39,45)/t13-,14-,15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37-,38-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Industries Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay |
J Med Chem 48: 8229-36 (2005)
Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V |
More data for this
Ligand-Target Pair | |
Leucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50093001
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093008
((4aR,6S,7R,7aS)-4-Carbamoyl-6-hydroxy-2-methyl-7-[...)Show SMILES CC[C@H](C)CC(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C19H30N4O8S/c1-4-10(2)5-15(25)22-32(30,31)9-16(26)21-19(18(28)29)13-8-23(3)7-12(17(20)27)11(13)6-14(19)24/h7,10-11,13-14,24H,4-6,8-9H2,1-3H3,(H2,20,27)(H,21,26)(H,22,25)(H,28,29)/t10-,11-,13+,14-,19+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093007
((4aR,6S,7R,7aS)-4-Carbamoyl-2-methyl-6-((S)-3-meth...)Show SMILES CC[C@H](C)CC(=O)NS(=O)(=O)CC(=O)N[C@]1([C@H](C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)OC(=O)C[C@@H](C)CC)C(O)=O |c:24| Show InChI InChI=1S/C25H40N4O9S/c1-6-14(3)8-20(30)28-39(36,37)13-21(31)27-25(24(34)35)18-12-29(5)11-17(23(26)33)16(18)10-19(25)38-22(32)9-15(4)7-2/h11,14-16,18-19H,6-10,12-13H2,1-5H3,(H2,26,33)(H,27,31)(H,28,30)(H,34,35)/t14-,15-,16-,18+,19-,25+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucine--tRNA ligase
(Staphylococcus aureus) | BDBM50093007
((4aR,6S,7R,7aS)-4-Carbamoyl-2-methyl-6-((S)-3-meth...)Show SMILES CC[C@H](C)CC(=O)NS(=O)(=O)CC(=O)N[C@]1([C@H](C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)OC(=O)C[C@@H](C)CC)C(O)=O |c:24| Show InChI InChI=1S/C25H40N4O9S/c1-6-14(3)8-20(30)28-39(36,37)13-21(31)27-25(24(34)35)18-12-29(5)11-17(23(26)33)16(18)10-19(25)38-22(32)9-15(4)7-2/h11,14-16,18-19H,6-10,12-13H2,1-5H3,(H2,26,33)(H,27,31)(H,28,30)(H,34,35)/t14-,15-,16-,18+,19-,25+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Isoleucyl-tRNA synthetase
(Rattus norvegicus) | BDBM50093008
((4aR,6S,7R,7aS)-4-Carbamoyl-6-hydroxy-2-methyl-7-[...)Show SMILES CC[C@H](C)CC(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25| Show InChI InChI=1S/C19H30N4O8S/c1-4-10(2)5-15(25)22-32(30,31)9-16(26)21-19(18(28)29)13-8-23(3)7-12(17(20)27)11(13)6-14(19)24/h7,10-11,13-14,24H,4-6,8-9H2,1-3H3,(H2,20,27)(H,21,26)(H,22,25)(H,28,29)/t10-,11-,13+,14-,19+/m0/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50380092
(CHEMBL2012918)Show SMILES Nc1ncc(Cn2cc(CN3CCN(CC3)c3nc4n(cc(C(O)=O)c(=O)c4cc3F)C3CC3)nn2)c(N)n1 Show InChI InChI=1S/C24H26FN11O3/c25-18-7-16-19(37)17(23(38)39)12-36(15-1-2-15)21(16)30-22(18)34-5-3-33(4-6-34)10-14-11-35(32-31-14)9-13-8-28-24(27)29-20(13)26/h7-8,11-12,15H,1-6,9-10H2,(H,38,39)(H4,26,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis |
Bioorg Med Chem Lett 22: 2428-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.019
BindingDB Entry DOI: 10.7270/Q27082FG |
More data for this
Ligand-Target Pair | |
Leucine--tRNA ligase, cytoplasmic
(Homo sapiens (Human)) | BDBM50093004
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(=O)OC |c:26| Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Australian National University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29 |
Bioorg Med Chem Lett 10: 2263-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PN94W3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50380096
(CHEMBL2012916)Show SMILES Nc1ncc(COCc2cn(nn2)-c2nc3n(cc(C(O)=O)c(=O)c3cc2F)C2CC2)c(N)n1 Show InChI InChI=1S/C20H18FN9O4/c21-14-3-12-15(31)13(19(32)33)6-29(11-1-2-11)17(12)26-18(14)30-5-10(27-28-30)8-34-7-9-4-24-20(23)25-16(9)22/h3-6,11H,1-2,7-8H2,(H,32,33)(H4,22,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis |
Bioorg Med Chem Lett 22: 2428-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.019
BindingDB Entry DOI: 10.7270/Q27082FG |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50380094
(CHEMBL2012914)Show InChI InChI=1S/C15H12FN3O3/c1-2-5-17-13-11(16)6-9-12(20)10(15(21)22)7-19(8-3-4-8)14(9)18-13/h1,6-8H,3-5H2,(H,17,18)(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis |
Bioorg Med Chem Lett 22: 2428-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.019
BindingDB Entry DOI: 10.7270/Q27082FG |
More data for this
Ligand-Target Pair | |
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