Found 15 hits of Enzyme Inhibition Constant Data 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 |
|---|
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231520
((R)-N-[(S)-1-(4-carbamimidoyl-benzylcarbamoyl)-2-h...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50147422
(3-(4-Chloro-1-guanidino-isoquinolin-7-yl)-benzoic ...)Show SMILES [#7]\[#6](-[#7])=[#7]\c1ncc(Cl)c2ccc(cc12)-c1cccc(c1)-[#6](-[#8])=O Show InChI InChI=1S/C17H13ClN4O2/c18-14-8-21-15(22-17(19)20)13-7-10(4-5-12(13)14)9-2-1-3-11(6-9)16(23)24/h1-8H,(H,23,24)(H4,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231528
(4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-(piperidi...)Show SMILES CCOc1c(Cl)cc(cc1NC(=O)c1cc(C)c(OCCN)c(C)c1)N1CCCCC1 Show InChI InChI=1S/C24H32ClN3O3/c1-4-30-23-20(25)14-19(28-9-6-5-7-10-28)15-21(23)27-24(29)18-12-16(2)22(17(3)13-18)31-11-8-26/h12-15H,4-11,26H2,1-3H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM23891
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231527
((R)-N-[(3-chloro-2-ethoxy 5-(1-piperidinyl)phenyl]...)Show SMILES CCOc1c(Cl)cc(cc1NC(=O)c1cc(C)c(OC[C@@H](C)N)c(C)c1)N1CCCCC1 Show InChI InChI=1S/C25H34ClN3O3/c1-5-31-24-21(26)13-20(29-9-7-6-8-10-29)14-22(24)28-25(30)19-11-16(2)23(17(3)12-19)32-15-18(4)27/h11-14,18H,5-10,15,27H2,1-4H3,(H,28,30)/t18-/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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231526
(4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphen...)Show SMILES Cc1cc(cc(C)c1OCCN)C(=O)Nc1cc(Cl)cc(c1)N1CCCCC1 Show InChI InChI=1S/C22H28ClN3O2/c1-15-10-17(11-16(2)21(15)28-9-6-24)22(27)25-19-12-18(23)13-20(14-19)26-7-4-3-5-8-26/h10-14H,3-9,24H2,1-2H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231523
(CHEMBL253607 | N-[(3,5-di-isopropoxy)phenyl] 4-[(2...)Show SMILES CC(C)Oc1cc(NC(=O)c2cc(C)c(OCCN)c(C)c2)cc(OC(C)C)c1 Show InChI InChI=1S/C23H32N2O4/c1-14(2)28-20-11-19(12-21(13-20)29-15(3)4)25-23(26)18-9-16(5)22(17(6)10-18)27-8-7-24/h9-15H,7-8,24H2,1-6H3,(H,25,26) | 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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231529
(4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimet...)Show SMILES CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1 Show InChI InChI=1S/C21H28N2O4/c1-5-25-17-7-8-19(26-6-2)18(13-17)23-21(24)16-11-14(3)20(15(4)12-16)27-10-9-22/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231524
(CHEMBL401366 | N-[(3-fluoro-5-(4-morpholinyl)pheny...)Show SMILES Cc1cc(cc(C)c1OCCN)C(=O)Nc1cc(F)cc(c1)N1CCOCC1 Show InChI InChI=1S/C21H26FN3O3/c1-14-9-16(10-15(2)20(14)28-6-3-23)21(26)24-18-11-17(22)12-19(13-18)25-4-7-27-8-5-25/h9-13H,3-8,23H2,1-2H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231525
(CHEMBL253379 | N-[3-(isopropyloxy)phenyl] 4-[(2-am...)Show InChI InChI=1S/C20H26N2O3/c1-13(2)25-18-7-5-6-17(12-18)22-20(23)16-10-14(3)19(15(4)11-16)24-9-8-21/h5-7,10-13H,8-9,21H2,1-4H3,(H,22,23) | 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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231519
(4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOX...)Show SMILES CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1 Show InChI InChI=1S/C18H20Cl2N2O3/c1-11(2)25-14-5-3-4-13(10-14)22-18(23)12-8-15(19)17(16(20)9-12)24-7-6-21/h3-5,8-11H,6-7,21H2,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231522
(CHEMBL253378 | N-(2-methoxyphenyl) 4-[(2-amino)eth...)Show InChI InChI=1S/C16H16Cl2N2O3/c1-22-14-5-3-2-4-13(14)20-16(21)10-8-11(17)15(12(18)9-10)23-7-6-19/h2-5,8-9H,6-7,19H2,1H3,(H,20,21) | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231518
(CHEMBL253377 | N-phenyl 4-[(2-amino)ethoxy]-3,5-di...)Show InChI InChI=1S/C15H14Cl2N2O2/c16-12-8-10(9-13(17)14(12)21-7-6-18)15(20)19-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20) | 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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50231521
(4-(2-aminoethoxy)-3,5-dichlorobenzoic acid | 4-[(2...)Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-5(9(13)14)4-7(11)8(6)15-2-1-12/h3-4H,1-2,12H2,(H,13,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50135883
((2R)-1-(2,6-dimethylphenoxy)propan-2-amine | (R)-1...)Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of uPA |
J Med Chem 51: 183-6 (2008)
Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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