Found 806 hits with Last Name = 'molloy' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118030
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118028
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118028
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | 4.90 | 3.05E+4 | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118029
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118029
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | 0.00000207 | 6.63E+3 | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118027
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE) |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50118027
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.73 | n/a | n/a | n/a | n/a | 0.0000109 | 6.31E+3 | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay |
J Med Chem 45: 3878-90 (2002)
BindingDB Entry DOI: 10.7270/Q2HM596S |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182163
(4-[7-bromo-1-(2,5-difluoro-benzyl)-1H-benzoimidazo...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(F)ccc3F)cnc2c1)C(N)=N Show InChI InChI=1S/C20H15BrF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)12-5-13(21)18-15(6-12)26-9-27(18)8-10-4-11(22)2-3-14(10)23/h2-7,9H,8H2,1H3,(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233679
(CHEMBL399284 | N-[3'-(5-carbamimidoyl-2-methylsulf...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)CCCS(C)(=O)=O)C(N)=N Show InChI InChI=1S/C24H27N3O5S4/c1-15-7-4-10-18(27-21(28)11-6-12-35(3,29)30)22(15)16-8-5-9-17(13-16)36(31,32)20-14-19(23(25)26)34-24(20)33-2/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233691
(4-(2'-amino-6'-methyl-biphenyl-3-sulfonyl)-5-methy...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1N)C(N)=N Show InChI InChI=1S/C19H19N3O2S3/c1-11-5-3-8-14(20)17(11)12-6-4-7-13(9-12)27(23,24)16-10-15(18(21)22)26-19(16)25-2/h3-10H,20H2,1-2H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182160
(4-[7-bromo-1-(2,6-dichloro-benzyl)-1H-benzoimidazo...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3c(Cl)cccc3Cl)cnc2c1)C(N)=N Show InChI InChI=1S/C20H15BrCl2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)10-5-12(21)18-15(6-10)26-9-27(18)8-11-13(22)3-2-4-14(11)23/h2-7,9H,8H2,1H3,(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233674
(6-{3-[3'-(5-carbamimidoyl-2-methylsulfanyl-thiophe...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)NCCCCCC(O)=O)C(N)=N Show InChI InChI=1S/C26H30N4O5S3/c1-16-8-6-11-19(30-26(33)29-13-5-3-4-12-22(31)32)23(16)17-9-7-10-18(14-17)38(34,35)21-15-20(24(27)28)37-25(21)36-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H3,27,28)(H,31,32)(H2,29,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233686
(4-(2'-methyl-biphenyl-3-sulfonyl)-5-methylsulfanyl...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1C)C(N)=N Show InChI InChI=1S/C19H18N2O2S3/c1-12-6-3-4-9-15(12)13-7-5-8-14(10-13)26(22,23)17-11-16(18(20)21)25-19(17)24-2/h3-11H,1-2H3,(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182171
(4-(1-benzyl-7-bromo-1H-benzoimidazole-5-sulfonyl)-...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3ccccc3)cnc2c1)C(N)=N Show InChI InChI=1S/C20H17BrN4O2S3/c1-28-20-17(9-16(29-20)19(22)23)30(26,27)13-7-14(21)18-15(8-13)24-11-25(18)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182170
(4-[7-bromo-1-(2-fluoro-5-nitro-benzyl)-1H-benzoimi...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(ccc3F)[N+]([O-])=O)cnc2c1)C(N)=N Show InChI InChI=1S/C20H15BrFN5O4S3/c1-32-20-17(7-16(33-20)19(23)24)34(30,31)12-5-13(21)18-15(6-12)25-9-26(18)8-10-4-11(27(28)29)2-3-14(10)22/h2-7,9H,8H2,1H3,(H3,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233688
(4-(2'-chloro-biphenyl-3-sulfonyl)-5-methylsulfanyl...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1Cl)C(N)=N Show InChI InChI=1S/C18H15ClN2O2S3/c1-24-18-16(10-15(25-18)17(20)21)26(22,23)12-6-4-5-11(9-12)13-7-2-3-8-14(13)19/h2-10H,1H3,(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182159
(4-[7-bromo-1-(2,6-difluoro-benzyl)-1H-benzoimidazo...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3c(F)cccc3F)cnc2c1)C(N)=N Show InChI InChI=1S/C20H15BrF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)10-5-12(21)18-15(6-10)26-9-27(18)8-11-13(22)3-2-4-14(11)23/h2-7,9H,8H2,1H3,(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233692
(4-[3-(6-methyl-pyridin-2-yl)-benzenesulfonyl]-5-me...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1cccc(C)n1)C(N)=N Show InChI InChI=1S/C18H17N3O2S3/c1-11-5-3-8-14(21-11)12-6-4-7-13(9-12)26(22,23)16-10-15(17(19)20)25-18(16)24-2/h3-10H,1-2H3,(H3,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233694
(5-[3'-(5-carbamimidoyl-2-methylsulfanyl-thiophene-...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)CCCCC(O)=O)C(N)=N Show InChI InChI=1S/C25H27N3O5S3/c1-15-7-5-10-18(28-21(29)11-3-4-12-22(30)31)23(15)16-8-6-9-17(13-16)36(32,33)20-14-19(24(26)27)35-25(20)34-2/h5-10,13-14H,3-4,11-12H2,1-2H3,(H3,26,27)(H,28,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099934
(4-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-5-m...)Show InChI InChI=1S/C16H15N3OS3/c1-8-5-9(3-4-12(8)20)11-7-22-15(19-11)10-6-13(14(17)18)23-16(10)21-2/h3-7,20H,1-2H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099928
(CHEMBL28952 | {3-[2-(5-Carbamimidoyl-2-methylsulfa...)Show SMILES COC(=O)COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C18H17N3O3S3/c1-23-15(22)8-24-11-5-3-4-10(6-11)13-9-26-17(21-13)12-7-14(16(19)20)27-18(12)25-2/h3-7,9H,8H2,1-2H3,(H3,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099923
(CHEMBL29037 | N-{3-[2-(5-Carbamimidoyl-2-methylsul...)Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cccc(NC(=O)c2ccc(F)cc2)c1)C(N)=N Show InChI InChI=1S/C22H17FN4OS3/c1-29-22-16(10-18(31-22)19(24)25)21-27-17(11-30-21)13-3-2-4-15(9-13)26-20(28)12-5-7-14(23)8-6-12/h2-11H,1H3,(H3,24,25)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182176
(4-[7-bromo-1-(3-methyl-but-2-enyl)-1H-benzoimidazo...)Show SMILES [#6]-[#16]-c1sc(cc1S(=O)(=O)c1cc(Br)c2n(-[#6]\[#6]=[#6](/[#6])-[#6])cnc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C18H19BrN4O2S3/c1-10(2)4-5-23-9-22-13-7-11(6-12(19)16(13)23)28(24,25)15-8-14(17(20)21)27-18(15)26-3/h4,6-9H,5H2,1-3H3,(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233677
(4-(2'-hydroxymethyl-6'-methyl-biphenyl-3-sulfonyl)...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1CO)C(N)=N Show InChI InChI=1S/C20H20N2O3S3/c1-12-5-3-7-14(11-23)18(12)13-6-4-8-15(9-13)28(24,25)17-10-16(19(21)22)27-20(17)26-2/h3-10,23H,11H2,1-2H3,(H3,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50109377
(4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl...)Show InChI InChI=1S/C17H17N3O2S3/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16(20-11)10-7-14(15(18)19)25-17(10)23-3/h4-8H,1-3H3,(H3,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Human kidney cell urokinase |
Bioorg Med Chem Lett 12: 491-5 (2002)
BindingDB Entry DOI: 10.7270/Q2H994H5 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50098163
(5-Methylsulfanyl-4-[2-(4-phenoxy-phenylamino)-thia...)Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N Show InChI InChI=1S/C21H18N4OS3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(25-17)24-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-12H,1H3,(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 915-8 (2001)
BindingDB Entry DOI: 10.7270/Q2J67G5B |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233689
(5-methylsulfanyl-4-(6'-methyl-2'-{3-[2-(2H-tetrazo...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)NCCc1nnn[nH]1)C(N)=N Show InChI InChI=1S/C23H24N8O3S3/c1-13-5-3-8-16(27-23(32)26-10-9-19-28-30-31-29-19)20(13)14-6-4-7-15(11-14)37(33,34)18-12-17(21(24)25)36-22(18)35-2/h3-8,11-12H,9-10H2,1-2H3,(H3,24,25)(H2,26,27,32)(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182185
(4-(1-allyl-7-bromo-1H-benzoimidazole-5-sulfonyl)-5...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(CC=C)cnc2c1)C(N)=N Show InChI InChI=1S/C16H15BrN4O2S3/c1-3-4-21-8-20-11-6-9(5-10(17)14(11)21)26(22,23)13-7-12(15(18)19)25-16(13)24-2/h3,5-8H,1,4H2,2H3,(H3,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50098169
(5-Methylsulfanyl-4-[2-(4-phenylamino-phenylamino)-...)Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1)C(N)=N Show InChI InChI=1S/C21H19N5S3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(26-17)25-15-9-7-14(8-10-15)24-13-5-3-2-4-6-13/h2-12,24H,1H3,(H3,22,23)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 915-8 (2001)
BindingDB Entry DOI: 10.7270/Q2J67G5B |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50098144
(5-Methyl-4-[2-(4-phenoxy-phenylamino)-thiazol-4-yl...)Show SMILES Cc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N Show InChI InChI=1S/C21H18N4OS2/c1-13-17(11-19(28-13)20(22)23)18-12-27-21(25-18)24-14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-12H,1H3,(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 915-8 (2001)
BindingDB Entry DOI: 10.7270/Q2J67G5B |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099902
(4-[4-(3-Hydroxy-phenyl)-thiazol-2-yl]-5-methylsulf...)Show InChI InChI=1S/C15H13N3OS3/c1-20-15-10(6-12(22-15)13(16)17)14-18-11(7-21-14)8-3-2-4-9(19)5-8/h2-7,19H,1H3,(H3,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099933
(5-Methylsulfanyl-4-(4-thiophen-2-yl-thiazol-2-yl)-...)Show InChI InChI=1S/C13H11N3S4/c1-17-13-7(5-10(20-13)11(14)15)12-16-8(6-19-12)9-3-2-4-18-9/h2-6H,1H3,(H3,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099921
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099911
(4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methyls...)Show InChI InChI=1S/C16H13N3O2S3/c1-22-16-9(5-13(24-16)14(17)18)15-19-10(6-23-15)8-2-3-11-12(4-8)21-7-20-11/h2-6H,7H2,1H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099901
(4-[4-(4-Methanesulfonylamino-phenyl)-thiazol-2-yl]...)Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(NS(C)(=O)=O)cc1)C(N)=N Show InChI InChI=1S/C16H16N4O2S4/c1-23-16-11(7-13(25-16)14(17)18)15-19-12(8-24-15)9-3-5-10(6-4-9)20-26(2,21)22/h3-8,20H,1-2H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099897
(5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thioph...)Show InChI InChI=1S/C16H15N3S3/c1-9-3-5-10(6-4-9)12-8-21-15(19-12)11-7-13(14(17)18)22-16(11)20-2/h3-8H,1-2H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099900
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099915
(4-[4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-t...)Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCCOc2c1)C(N)=N Show InChI InChI=1S/C18H17N3O2S3/c1-24-18-11(8-15(26-18)16(19)20)17-21-12(9-25-17)10-3-4-13-14(7-10)23-6-2-5-22-13/h3-4,7-9H,2,5-6H2,1H3,(H3,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182173
(4-[7-chloro-1-(2,6-difluoro-benzyl)-1H-benzoimidaz...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Cl)c2n(Cc3c(F)cccc3F)cnc2c1)C(N)=N Show InChI InChI=1S/C20H15ClF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)10-5-12(21)18-15(6-10)26-9-27(18)8-11-13(22)3-2-4-14(11)23/h2-7,9H,8H2,1H3,(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50182183
(4-[7-chloro-3-(2,6-difluoro-benzyl)-3H-benzoimidaz...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cc(Cl)c2ncn(Cc3c(F)cccc3F)c2c1)C(N)=N Show InChI InChI=1S/C20H15ClF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)10-5-12(21)18-15(6-10)27(9-26-18)8-11-13(22)3-2-4-14(11)23/h2-7,9H,8H2,1H3,(H3,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of C1S |
Bioorg Med Chem Lett 16: 2200-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.036
BindingDB Entry DOI: 10.7270/Q2251HSV |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099921
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Human kidney cell urokinase |
Bioorg Med Chem Lett 12: 491-5 (2002)
BindingDB Entry DOI: 10.7270/Q2H994H5 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099900
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Human kidney cell urokinase |
Bioorg Med Chem Lett 12: 491-5 (2002)
BindingDB Entry DOI: 10.7270/Q2H994H5 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50109381
(5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-car...)Show InChI InChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Human kidney cell urokinase |
Bioorg Med Chem Lett 12: 491-5 (2002)
BindingDB Entry DOI: 10.7270/Q2H994H5 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099896
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiazol-2...)Show InChI InChI=1S/C17H15N3O2S3/c1-23-17-10(7-14(25-17)15(18)19)16-20-11(8-24-16)9-2-3-12-13(6-9)22-5-4-21-12/h2-3,6-8H,4-5H2,1H3,(H3,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50098141
(4-{2-[4-(4-Chloro-phenoxy)-phenylamino]-thiazol-4-...)Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1)C(N)=N Show InChI InChI=1S/C21H17ClN4OS3/c1-28-20-16(10-18(30-20)19(23)24)17-11-29-21(26-17)25-13-4-8-15(9-5-13)27-14-6-2-12(22)3-7-14/h2-11H,1H3,(H3,23,24)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 915-8 (2001)
BindingDB Entry DOI: 10.7270/Q2J67G5B |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50098127
(4-[2-(4-Cyclohexyl-phenylamino)-thiazol-4-yl]-5-me...)Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(cc2)C2CCCCC2)n1)C(N)=N Show InChI InChI=1S/C21H24N4S3/c1-26-20-16(11-18(28-20)19(22)23)17-12-27-21(25-17)24-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 915-8 (2001)
BindingDB Entry DOI: 10.7270/Q2J67G5B |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099903
(4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...)Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233680
(4-(2'-hydroxymethyl-biphenyl-3-sulfonyl)-5-methyls...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1ccccc1CO)C(N)=N Show InChI InChI=1S/C19H18N2O3S3/c1-25-19-17(10-16(26-19)18(20)21)27(23,24)14-7-4-6-12(9-14)15-8-3-2-5-13(15)11-22/h2-10,22H,11H2,1H3,(H3,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Complement C1s subcomponent
(Homo sapiens (Human)) | BDBM50233693
(CHEMBL252619 | N-[3'-(5-carbamimidoyl-2-methylsulf...)Show SMILES CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1NC(=O)CS(C)(=O)=O)C(N)=N Show InChI InChI=1S/C22H23N3O5S4/c1-13-6-4-9-16(25-19(26)12-33(3,27)28)20(13)14-7-5-8-15(10-14)34(29,30)18-11-17(21(23)24)32-22(18)31-2/h4-11H,12H2,1-3H3,(H3,23,24)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of Complement C1s subcomponent |
Bioorg Med Chem Lett 18: 1603-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.064
BindingDB Entry DOI: 10.7270/Q2K35TD4 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50099913
(4-[4-(2-Chloro-pyridin-4-yl)-thiazol-2-yl]-5-methy...)Show InChI InChI=1S/C14H11ClN4S3/c1-20-14-8(5-10(22-14)12(16)17)13-19-9(6-21-13)7-2-3-18-11(15)4-7/h2-6H,1H3,(H3,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa) |
Bioorg Med Chem Lett 11: 1379-82 (2001)
BindingDB Entry DOI: 10.7270/Q24M93S1 |
More data for this
Ligand-Target Pair | |
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