Found 3442 hits with Last Name = 'botez' and Initial = 'i' 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 |
|---|
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM194644
(US9206139, 3)Show SMILES FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1 |r| Show InChI InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM379774
(US9926281, Compound 279 | US9926281, Compound 448)Show SMILES COCC1(CC(C)C(=O)N2CCN(CC2)c2cc(F)c(Cl)c(F)c2)NC(=O)NC1=O Show InChI InChI=1S/C19H23ClF2N4O4/c1-11(9-19(10-30-2)17(28)23-18(29)24-19)16(27)26-5-3-25(4-6-26)12-7-13(21)15(20)14(22)8-12/h7-8,11H,3-6,9-10H2,1-2H3,(H2,23,24,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
MMP2: Protocol 2: The basis for the assay is the cleavage of the substrate 390 MMP FRET substrate I (Anaspec, Catalog n#: AS-27076) by human MMP2 (R&... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM194644
(US9206139, 3)Show SMILES FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1 |r| Show InChI InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS4 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379670
(US9926281, Compound 194 | US9926281, Compound 413)Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-5-6-27(13(2)11-26)17-8-15(22)7-16(23)9-17/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379686
(US9926281, Compound 212)Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12-,13-,21-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM379776
(US9926281, Compound 234)Show SMILES CC(CC1(NC(=O)NC1=O)C1CN(C1)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C25H33F2N5O5/c1-15(20(33)31-9-7-30(8-10-31)17-5-6-18(26)19(27)11-17)12-25(21(34)28-22(35)29-25)16-13-32(14-16)23(36)37-24(2,3)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,28,29,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
MMP-13:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP13 (Chemicon, Cat #CC06... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379681
(US9926281, Compound 207 | US9926281, Compound 416)Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379668
(US9926281, Compound 192 | US9926281, Compound 411)Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C21H26ClFN4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-17(23)16(22)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12?,13-,21?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379669
(US9926281, Compound 193 | US9926281, Compound 412)Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H27ClN4O3/c1-13(11-21(15-3-4-15)19(28)23-20(29)24-21)18(27)25-9-10-26(14(2)12-25)17-7-5-16(22)6-8-17/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,23,24,28,29)/t13?,14-,21?/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379653
(US9926281, Compound 176)Show SMILES CC(CC1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1C Show InChI InChI=1S/C21H27ClN4O3/c1-13(12-21(15-6-7-15)19(28)23-20(29)24-21)18(27)26-10-8-25(9-11-26)17-5-3-4-16(22)14(17)2/h3-5,13,15H,6-12H2,1-2H3,(H2,23,24,28,29) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM379901
(US9926281, Compound 396)Show SMILES C[C@H]1CN(CCN1c1cc(F)cc(F)c1)C(=O)CCC1(NC(=O)NC1=O)c1nc(C)oc1C |r| Show InChI InChI=1S/C22H25F2N5O4/c1-12-11-28(6-7-29(12)17-9-15(23)8-16(24)10-17)18(30)4-5-22(20(31)26-21(32)27-22)19-13(2)33-14(3)25-19/h8-10,12H,4-7,11H2,1-3H3,(H2,26,27,31,32)/t12-,22?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
MMP-14:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP14 (Biomol, Cat #SE-259... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM379776
(US9926281, Compound 234)Show SMILES CC(CC1(NC(=O)NC1=O)C1CN(C1)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C25H33F2N5O5/c1-15(20(33)31-9-7-30(8-10-31)17-5-6-18(26)19(27)11-17)12-25(21(34)28-22(35)29-25)16-13-32(14-16)23(36)37-24(2,3)4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,28,29,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description
MMP-14:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP14 (Biomol, Cat #SE-259... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50575720
(CHEMBL4864283)Show SMILES CC1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634355
(4-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-8,14- | US2...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1C[C@@H]4C[C@H]1CO4)c3c2 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634356
(4-[(morpholin-4-yl)methyl]-8,14-dioxa-10,19,20- | ...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCOCC5)cc(CO1)c4)c3c2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634357
(4-[(pyrrolidin-1-yl)methyl]-8,14-dioxa-10,19,20- |...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCCC5)cc(CO1)c4)c3c2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634359
(4-[(4-methylpiperazin-1-yl)methyl]-8,14-dioxa- | U...)Show SMILES CN1CCN(Cc2cc3COC(=O)NCCCOc4ccc5[nH]nc(-c(c2)c3)c5c4)CC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634360
(5-(morpholin-4-yl)-8,14-dioxa-10,19,20- | US202303...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4ccc(N5CCOCC5)c(CO1)c4)c3c2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634361
(4-[4-(2-methoxyethyl)piperazin-1-yl]-8,14-dioxa- |...)Show SMILES COCCN1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634362
(4-(diethylamino)-8,14-dioxa-10,19,20-triazatetracy...)Show SMILES CCN(CC)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634363
(4-cyclopropyl-8,14-dioxa-10,19,20- | US20230357269...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1CC1)c3c2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634365
(13-methyl-8,14-dioxa-10,19,20- | US20230357269, Ex...)Show SMILES CC1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634366
(8,14-dioxa-4,5,10,19,20- | US20230357269, Example ...) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634367
(4-[methyl(oxetan-3-yl)amino]-8,14-dioxa- | US20230...)Show SMILES CN(C1COC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 | PDB
KEGG
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Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634369
(4,10-dimethyl-8,14-dioxa-10,19,20- | US20230357269...)Show SMILES CN1CCCOc2ccc3[nH]nc(-c4cc(C)cc(COC1=O)c4)c3c2 | PDB
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Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634370
(4-(propan-2-yloxy)-8,14-dioxa-10,19,20- | US202303...)Show SMILES CC(C)Oc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 | PDB
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Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634371
(4-fluoro-7-methyl-8,14-dioxa-10,19,20- | US2023035...)Show SMILES CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)cc1c4)c3c2 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634372
(4-[1-(oxetan-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCN(CC1)C1COC1)c3c2 |t:24| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634373
(4-(3-methylpiperidin-1-yl)-8,14-dioxa-10,19,20- | ...)Show SMILES CC1CCCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634374
(4-[(3S)-3-hydroxypyrrolidin-1-yl]-8,14-dioxa- | US...)Show SMILES O[C@H]1CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r| | PDB
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Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634375
(4-fluoro-8,14-dioxa-10,19,20- | US20230357269, Exa...)Show SMILES Fc1cc2cc(c1)-c1n[nH]c3ccc(OCCCN4CC2OC4=O)cc13 | PDB
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ADAMTS5
(Rattus norvegicus (Rat)) | BDBM379645
(US9926281, Compound 167 | US9926281, Compound 408)Show SMILES C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(8-9-26(12)14-4-5-15(21)16(22)10-14)17(27)6-7-20(13-2-3-13)18(28)23-19(29)24-20/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1 | PDB
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University of Illinois at Chicago
| Assay Description
ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the do... |
J Med Chem 51: 3437-48 (2008)
BindingDB Entry DOI: 10.7270/Q27S7R3T |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634407
(13-methyl-8,14-dioxa-10,19,20,23- | US20230357269,...)Show SMILES CC1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3ccc(O1)cc23 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634408
(12-methyl-8,14-dioxa-4,5,10,19,20- | US20230357269...)Show SMILES CC1CNC(=O)OCCn2cc(cn2)-c2n[nH]c3ccc(OC1)cc23 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634409
(7-methyl-8,14-dioxa-4,5,10,19,20- | US20230357269,...)Show SMILES CC1Cn2cc(cn2)-c2n[nH]c3ccc(OCCCNC(=O)O1)cc23 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634410
(5-fluoro-4-methoxy-7-methyl-8,14-dioxa- | US202303...)Show SMILES COc1cc-2cc(C(C)OC(=O)NCCCOc3ccc4[nH]nc-2c4c3)c1F | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634411
((7R,13R)-7,13-dimethyl-8,14-dioxa-10,19,20- | US20...)Show SMILES C[C@@H]1CCNC(=O)O[C@H](C)c2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634412
((13R)-13-methyl-8,14-dioxa-4,5,10,19,20- | US20230...)Show SMILES C[C@@H]1CCNC(=O)OCCn2cc(cn2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634413
(8,15-dioxa-4,10,20,21-tetraazapentacyclo | US20230...)Show SMILES O=C1OCc2cncc(c2)-c2n[nH]c3ccc(OCC4CCN1C4)cc23 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634414
(8,14-dioxa-5,10,19,20- | US20230357269, Example 99) | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634415
((13R) or (13S)-4-fluoro-13-methyl-8,14-dioxa- | US...)Show SMILES C[C@H]1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634416
((13R) or (13S)-4-fluoro-13-methyl-8,14-dioxa-10,19...)Show SMILES C[C@@H]1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634417
((13R)-13-methyl-8,14-dioxa-4,10,19,20- | US2023035...)Show SMILES C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634418
(6-cyclopropyl-8,14-dioxa-4,5,10,19,20- | US2023035...)Show SMILES O=C1NCCCOc2ccc3[nH]nc(-c4cnn(c4)C(CO1)C1CC1)c3c2 | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634420
((13R)-13-methyl-8,14-dioxa-5,10,19,20,23- | US2023...)Show SMILES C[C@@H]1CCNC(=O)OCc2nccc(n2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634421
((7R,13R)-4-fluoro-7,13-dimethyl-8,14-dioxa- | US20...)Show SMILES C[C@@H]1CCNC(=O)O[C@H](C)c2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634422
(7-methyl-8,14-dioxa-4,10,19,20- | US20230357269, E...) | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634423
((7R)- or (7S)-4-fluoro-7-methyl-8,14-dioxa- | US20...)Show SMILES C[C@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)cc1c4)c3c2 |r| | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634425
(6-methyl-8,14-dioxa-4,5,10,19,20- | US20230357269,...) | PDB
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Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM634428
((13R)-7,13-dimethyl-8,14-dioxa-4,5,10,19,20- | US2...)Show SMILES C[C@@H]1CCNC(=O)OC(C)Cn2cc(cn2)-c2n[nH]c3ccc(O1)cc23 |r| | PDB
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