Found 401 hits with Last Name = 'fry' and Initial = 'am' 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 4
(Homo sapiens (Human)) | BDBM50167609
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50341824
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50341816
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50167609
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341819
((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50104963
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50311088
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50311088
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1 | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP13 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50311088
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50311088
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50311088
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS5 |
Bioorg Med Chem Lett 19: 6213-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50341820
((1S,2R,3R)-1-(6-Fluoro-4H-thieno[3,2-b]indole-2-su...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341820
((1S,2R,3R)-1-(6-Fluoro-4H-thieno[3,2-b]indole-2-su...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341812
((1S,2R,3R)-2.3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...)Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-9-18-17(13-26)24-19-12-16(23)8-11-27(18)19/h3-8,11-12,14,25H,9-10,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341809
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50553212
(CHEMBL4763380) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl... |
Citation and Details
Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50553217
(CHEMBL4761747)Show SMILES CN(C)S(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl... |
Citation and Details
Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341821
((1S,2R,3R)-1-(7-Fluoro-4H-thieno[3,2-b]indole-2-su...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3ccc(F)cc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-9-13(22)7-8-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341813
((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...)Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50311084
((1S,2R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonami...)Show SMILES C[C@@]1(C[C@@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C21H18ClNO4S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-12,23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS5 |
Bioorg Med Chem Lett 19: 6213-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50104963
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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MMDB
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341811
((1S,2R,3R)-2,3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...)Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-11-27-18-9-8-16(23)12-17(18)24-19(27)13-26/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341808
((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrido[3'...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-8-17-16(12-25)23-18-11-15(22)7-10-26(17)18/h2-7,10-11,13,19,24H,8-9,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341816
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341815
((1S,2R,3R)-1-[(R)-4-(5-Difluoromethylisoxazol-3-yl...)Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1cc(on1)C(F)F)C(O)=O |r| Show InChI InChI=1S/C21H26F2N4O5S/c1-13-12-26(9-10-27(13)17-11-16(18(22)23)32-24-17)33(30,31)25-21(19(28)29)14(2)20(21,3)15-7-5-4-6-8-15/h4-8,11,13-14,18,25H,9-10,12H2,1-3H3,(H,28,29)/t13-,14-,20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50341819
((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
Similars
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50553207
(CHEMBL4786783) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human NEK2 by kinase-profiling analysis |
Citation and Details
Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341824
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50311085
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341803
((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-10-26-17-8-7-15(22)11-16(17)23-18(26)12-25/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50311085
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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PC sid
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS5 |
Bioorg Med Chem Lett 19: 6213-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50311085
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341799
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrido[3'...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(Cl)ccn21)C(O)=O |r| Show InChI InChI=1S/C21H21ClN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-8-17-16(12-25)23-18-11-15(22)7-10-26(17)18/h2-7,10-11,13,19,24H,8-9,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50385915
(CHEMBL2042135)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method |
J Med Chem 55: 3228-41 (2012)
Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341817
((1S,2R,3R)-1-(6-Chlorothieno[3',2':4,5]imidazo[1,2...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nc3cc(Cl)ccn3c2s1)C(O)=O |r| Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-10-14-18(29-16)24-8-7-13(21)9-15(24)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50341812
((1S,2R,3R)-2.3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...)Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-9-18-17(13-26)24-19-12-16(23)8-11-27(18)19/h3-8,11-12,14,25H,9-10,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50341821
((1S,2R,3R)-1-(7-Fluoro-4H-thieno[3,2-b]indole-2-su...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3ccc(F)cc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-9-13(22)7-8-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50553200
(CHEMBL4796125) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl... |
Citation and Details
Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341794
((1S,2R,3R)-1-[(R)-4-(5-Difluoromethylisoxazol-3-yl...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1cc(on1)C(F)F)C(O)=O |r| Show InChI InChI=1S/C20H24F2N4O5S/c1-12-11-25(8-9-26(12)16-10-15(18(21)22)31-23-16)32(29,30)24-20(19(27)28)13(2)17(20)14-6-4-3-5-7-14/h3-7,10,12-13,17-18,24H,8-9,11H2,1-2H3,(H,27,28)/t12-,13-,17-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341814
((1S,2R,3R)-1-[(R)-4-(5-Cyanothiophen-2-yl)-3-methy...)Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(s1)C#N)C(O)=O |r| Show InChI InChI=1S/C22H26N4O4S2/c1-15-14-25(11-12-26(15)19-10-9-18(13-23)31-19)32(29,30)24-22(20(27)28)16(2)21(22,3)17-7-5-4-6-8-17/h4-10,15-16,24H,11-12,14H2,1-3H3,(H,27,28)/t15-,16-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341818
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50311087
((1S,2R)-1-(5-(4-chloro-1H-pyrazol-1-yl)thiophene-2...)Show SMILES C[C@@]1(C[C@@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-17(12-5-3-2-4-6-12)11-18(17,16(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-10,21H,11H2,1H3,(H,23,24)/t17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ADAMTS5 |
Bioorg Med Chem Lett 19: 6213-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50341816
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341793
((1S,2R,3R)-1-[(R)-4-(5-Cyanothiophen-2-yl)-3-methy...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(s1)C#N)C(O)=O |r| Show InChI InChI=1S/C21H24N4O4S2/c1-14-13-24(10-11-25(14)18-9-8-17(12-22)30-18)31(28,29)23-21(20(26)27)15(2)19(21)16-6-4-3-5-7-16/h3-9,14-15,19,23H,10-11,13H2,1-2H3,(H,26,27)/t14-,15-,19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50385916
(CHEMBL2042136)Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method |
J Med Chem 55: 3228-41 (2012)
Article DOI: 10.1021/jm201683b
BindingDB Entry DOI: 10.7270/Q2Q81F4F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341786
((1S,2R,3R)-1-[(R)-4-(4-Chlorophenyl)-3-methylpiper...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15-14-25(12-13-26(15)19-10-8-18(23)9-11-19)31(29,30)24-22(21(27)28)16(2)20(22)17-6-4-3-5-7-17/h3-11,15-16,20,24H,12-14H2,1-2H3,(H,27,28)/t15-,16-,20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341810
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydro-9H-pyrid...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)[nH]c1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H22FN3O4S/c1-13-20(14-5-3-2-4-6-14)22(13,21(27)28)25-31(29,30)26-10-9-17-16-8-7-15(23)11-18(16)24-19(17)12-26/h2-8,11,13,20,24-25H,9-10,12H2,1H3,(H,27,28)/t13-,20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50341797
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H22ClN3O4S/c1-14-20(15-5-3-2-4-6-15)22(14,21(27)28)24-31(29,30)25-9-10-26-18(13-25)12-16-11-17(23)7-8-19(16)26/h2-8,11-12,14,20,24H,9-10,13H2,1H3,(H,27,28)/t14-,20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader |
J Med Chem 54: 2839-63 (2011)
Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50553205
(CHEMBL4743876) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl... |
Citation and Details
Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50553213
(CHEMBL4779487) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl... |
Citation and Details
Article DOI: 10.1039/d0md00074d
BindingDB Entry DOI: 10.7270/Q2P272RV |
More data for this
Ligand-Target Pair | |
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