Found 47 hits with Last Name = 'donnecke' and Initial = 'd' 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 |
|---|
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104907
(US8569313, Inhibitor 15)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |c:39| Show InChI InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104930
(US8569313, Inhibitor 47)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |r,c:43| Show InChI InChI=1S/C31H43N7O4S/c1-35-29(39)10-3-5-21-13-15-38(16-14-21)31(40)27(18-22-6-2-8-24(17-22)30(33)34)37-43(41,42)26-9-4-7-23(19-26)25-11-12-28(32)36-20-25/h2,4,6-9,17,19,21,25,27,37H,3,5,10-16,18,20H2,1H3,(H2,32,36)(H3,33,34)(H,35,39)/t25?,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104931
(US8569313, Inhibitor 48)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H38N6O6S/c33-15-12-29(39)36-26-10-5-11-27(20-26)45(42,43)37-28(19-23-8-4-9-25(18-23)30(34)35)31(40)38-16-13-24(14-17-38)32(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,24,28,37H,12-17,19,21,33H2,(H3,34,35)(H,36,39)/t28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104908
(CHEMBL468270 | US8569313, Inhibitor 16)Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50254219
(Azetidine-3-carboxylic acid {3-[(S)-2-[4-(2-amino-...)Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)C2CNC2)c1 |r| Show InChI InChI=1S/C27H37N7O4S/c28-10-7-18-8-11-34(12-9-18)27(36)24(14-19-3-1-4-20(13-19)25(29)30)33-39(37,38)23-6-2-5-22(15-23)32-26(35)21-16-31-17-21/h1-6,13,15,18,21,24,31,33H,7-12,14,16-17,28H2,(H3,29,30)(H,32,35)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104898
(US8569313, Inhibitor 5)Show SMILES CCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |w:18.20| Show InChI InChI=1S/C31H39N5O3S/c1-2-22-9-11-25(12-10-22)26-6-4-8-28(21-26)40(38,39)35-29(20-24-5-3-7-27(19-24)30(33)34)31(37)36-17-14-23(13-16-32)15-18-36/h3-12,19,21,23,29,35H,2,13-18,20,32H2,1H3,(H3,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104906
(US8569313, Inhibitor 14)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(N)nc1 |w:11.12| Show InChI InChI=1S/C28H35N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-8,15,17-19,25,34H,9-14,16,29H2,(H2,30,33)(H3,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104894
(US8569313, Inhibitor 1)Show SMILES COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |w:20.22| Show InChI InChI=1S/C31H39N5O5S/c1-40-28-10-9-24(20-29(28)41-2)23-6-4-8-26(19-23)42(38,39)35-27(18-22-5-3-7-25(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,27,35H,11-16,18,32H2,1-2H3,(H3,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104897
(US8569313, Inhibitor 4)Show SMILES CCOc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |w:19.21| Show InChI InChI=1S/C31H39N5O4S/c1-2-40-27-11-9-24(10-12-27)25-6-4-8-28(21-25)41(38,39)35-29(20-23-5-3-7-26(19-23)30(33)34)31(37)36-17-14-22(13-16-32)15-18-36/h3-12,19,21-22,29,35H,2,13-18,20,32H2,1H3,(H3,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104896
(US8569313, Inhibitor 3)Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |w:18.20| Show InChI InChI=1S/C30H37N5O4S/c1-39-26-10-8-23(9-11-26)24-5-3-7-27(20-24)40(37,38)34-28(19-22-4-2-6-25(18-22)29(32)33)30(36)35-16-13-21(12-15-31)14-17-35/h2-11,18,20-21,28,34H,12-17,19,31H2,1H3,(H3,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257511
((S)-methyl 4-(1-(2-(3-(3-aminopropanamido)phenylsu...)Show SMILES COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H40N6O6S/c1-41-27(37)10-3-5-20-12-15-35(16-13-20)29(38)25(18-21-6-2-7-22(17-21)28(31)32)34-42(39,40)24-9-4-8-23(19-24)33-26(36)11-14-30/h2,4,6-9,17,19-20,25,34H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,36)/t25-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104914
(CHEMBL507322 | US8569313, Inhibitor 26)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257512
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104909
(US8569313, Inhibitor 18)Show SMILES CCOc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(=O)NC)CC1 |r| Show InChI InChI=1S/C34H43N5O5S/c1-3-44-29-15-13-26(14-16-29)27-9-6-11-30(23-27)45(42,43)38-31(22-25-8-4-10-28(21-25)33(35)36)34(41)39-19-17-24(18-20-39)7-5-12-32(40)37-2/h4,6,8-11,13-16,21,23-24,31,38H,3,5,7,12,17-20,22H2,1-2H3,(H3,35,36)(H,37,40)/t31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104929
(US8569313, Inhibitor 46)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(N)nc1 |r| Show InChI InChI=1S/C31H39N7O4S/c1-35-29(39)10-3-5-21-13-15-38(16-14-21)31(40)27(18-22-6-2-8-24(17-22)30(33)34)37-43(41,42)26-9-4-7-23(19-26)25-11-12-28(32)36-20-25/h2,4,6-9,11-12,17,19-21,27,37H,3,5,10,13-16,18H2,1H3,(H2,32,36)(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257557
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r| Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104899
(US8569313, Inhibitor 6)Show SMILES CC(C)Oc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |w:20.22| Show InChI InChI=1S/C32H41N5O4S/c1-22(2)41-28-11-9-25(10-12-28)26-6-4-8-29(21-26)42(39,40)36-30(20-24-5-3-7-27(19-24)31(34)35)32(38)37-17-14-23(13-16-33)15-18-37/h3-12,19,21-23,30,36H,13-18,20,33H2,1-2H3,(H3,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104911
(CHEMBL493116 | US8569313, Inhibitor 23)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-7-22(33)30-19-5-2-6-20(15-19)38(36,37)31-21(14-16-3-1-4-18(13-16)23(27)28)25(35)32-11-8-17(9-12-32)24(29)34/h1-6,13,15,17,21,31H,7-12,14,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104905
(US8569313, Inhibitor 13)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]ccc2c1 |w:11.12| Show InChI InChI=1S/C31H36N6O3S/c32-13-9-21-11-15-37(16-12-21)31(38)29(18-22-3-1-5-26(17-22)30(33)34)36-41(39,40)27-6-2-4-23(20-27)24-7-8-28-25(19-24)10-14-35-28/h1-8,10,14,17,19-21,29,35-36H,9,11-13,15-16,18,32H2,(H3,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104922
(US8569313, Inhibitor 38)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)C2CNC2)c1 |r| Show InChI InChI=1S/C30H41N7O5S/c1-33-27(38)10-3-5-20-11-13-37(14-12-20)30(40)26(16-21-6-2-7-22(15-21)28(31)32)36-43(41,42)25-9-4-8-24(17-25)35-29(39)23-18-34-19-23/h2,4,6-9,15,17,20,23,26,34,36H,3,5,10-14,16,18-19H2,1H3,(H3,31,32)(H,33,38)(H,35,39)/t26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104932
(US8569313, Inhibitor 49)Show SMILES COCCOCCC(=O)N[C@@H](CN)C(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r,Sg:n:2,4,3,1::ht| Show InChI InChI=1S/C32H48N8O7S/c1-46-16-17-47-15-11-29(41)38-28(21-34)31(42)37-25-6-3-7-26(20-25)48(44,45)39-27(19-23-4-2-5-24(18-23)30(35)36)32(43)40-13-9-22(8-12-33)10-14-40/h2-7,18,20,22,27-28,39H,8-17,19,21,33-34H2,1H3,(H3,35,36)(H,37,42)(H,38,41)/t27-,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 21.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104927
(US8569313, Inhibitor 44)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C35H45N5O4S/c1-24(2)27-13-15-28(16-14-27)29-9-6-11-31(23-29)45(43,44)39-32(22-26-8-4-10-30(21-26)34(36)37)35(42)40-19-17-25(18-20-40)7-5-12-33(41)38-3/h4,6,8-11,13-16,21,23-25,32,39H,5,7,12,17-20,22H2,1-3H3,(H3,36,37)(H,38,41)/t32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 23.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104917
(US8569313, Inhibitor 31)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)N1CCNCC1=O |r| Show InChI InChI=1S/C30H41N7O5S/c1-33-27(38)10-3-5-21-11-14-36(15-12-21)30(40)26(18-22-6-2-7-23(17-22)29(31)32)35-43(41,42)25-9-4-8-24(19-25)37-16-13-34-20-28(37)39/h2,4,6-9,17,19,21,26,34-35H,3,5,10-16,18,20H2,1H3,(H3,31,32)(H,33,38)/t26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104910
(US8569313, Inhibitor 19)Show SMILES CCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(=O)NC)CC1 |r| Show InChI InChI=1S/C34H43N5O4S/c1-3-24-13-15-27(16-14-24)28-9-6-11-30(23-28)44(42,43)38-31(22-26-8-4-10-29(21-26)33(35)36)34(41)39-19-17-25(18-20-39)7-5-12-32(40)37-2/h4,6,8-11,13-16,21,23,25,31,38H,3,5,7,12,17-20,22H2,1-2H3,(H3,35,36)(H,37,40)/t31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 24.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104900
(US8569313, Inhibitor 7)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C29H34ClN5O3S/c30-25-9-7-22(8-10-25)23-4-2-6-26(19-23)39(37,38)34-27(18-21-3-1-5-24(17-21)28(32)33)29(36)35-15-12-20(11-14-31)13-16-35/h1-10,17,19-20,27,34H,11-16,18,31H2,(H3,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50253953
(3-{(S)-3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-[3-(...)Show SMILES Cc1nccc(n1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C28H35N7O3S/c1-19-32-13-9-25(33-19)22-5-3-7-24(18-22)39(37,38)34-26(17-21-4-2-6-23(16-21)27(30)31)28(36)35-14-10-20(8-12-29)11-15-35/h2-7,9,13,16,18,20,26,34H,8,10-12,14-15,17,29H2,1H3,(H3,30,31)/t26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104902
(US8569313, Inhibitor 9)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccccc1Cl |w:11.12| Show InChI InChI=1S/C29H34ClN5O3S/c30-26-10-2-1-9-25(26)22-6-4-8-24(19-22)39(37,38)34-27(18-21-5-3-7-23(17-21)28(32)33)29(36)35-15-12-20(11-14-31)13-16-35/h1-10,17,19-20,27,34H,11-16,18,31H2,(H3,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104912
(CHEMBL493936 | US8569313, Inhibitor 24)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-9-22(33)30-19-7-2-8-20(14-19)38(36,37)31-21(13-16-4-1-5-17(12-16)23(27)28)25(35)32-11-3-6-18(15-32)24(29)34/h1-2,4-5,7-8,12,14,18,21,31H,3,6,9-11,13,15,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t18?,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 30.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104916
(US8569313, Inhibitor 30)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)N1CCCCC1=O |r| Show InChI InChI=1S/C31H42N6O5S/c1-34-28(38)12-5-7-22-14-17-36(18-15-22)31(40)27(20-23-8-4-9-24(19-23)30(32)33)35-43(41,42)26-11-6-10-25(21-26)37-16-3-2-13-29(37)39/h4,6,8-11,19,21-22,27,35H,2-3,5,7,12-18,20H2,1H3,(H3,32,33)(H,34,38)/t27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257663
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257664
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104921
(US8569313, Inhibitor 36)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(CN)c1)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H38N6O6S/c32-13-12-29(38)34-26-10-5-11-27(20-26)44(41,42)35-28(19-24-8-4-9-25(18-24)21-33)30(39)36-14-16-37(17-15-36)31(40)43-22-23-6-2-1-3-7-23/h1-11,18,20,28,35H,12-17,19,21-22,32-33H2,(H,34,38)/t28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 44.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104904
(US8569313, Inhibitor 11)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1cccnc1 |w:11.12| Show InChI InChI=1S/C28H34N6O3S/c29-12-9-20-10-14-34(15-11-20)28(35)26(17-21-4-1-6-23(16-21)27(30)31)33-38(36,37)25-8-2-5-22(18-25)24-7-3-13-32-19-24/h1-8,13,16,18-20,26,33H,9-12,14-15,17,29H2,(H3,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104933
(US8569313, Inhibitor 50)Show SMILES COCCOCCNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r,Sg:n:1,3,4,2::ht| Show InChI InChI=1S/C33H49N7O7S/c1-46-19-20-47-18-15-37-30(41)10-3-5-24-12-16-40(17-13-24)33(43)29(22-25-6-2-7-26(21-25)32(35)36)39-48(44,45)28-9-4-8-27(23-28)38-31(42)11-14-34/h2,4,6-9,21,23-24,29,39H,3,5,10-20,22,34H2,1H3,(H3,35,36)(H,37,41)(H,38,42)/t29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50253954
(3-Amino-N-{3-[(S)-2-[4-(2-amino-ethyl)-piperidin-1...)Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(CN)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H38N6O4S/c27-11-7-19-9-13-32(14-10-19)26(34)24(16-20-3-1-4-21(15-20)18-29)31-37(35,36)23-6-2-5-22(17-23)30-25(33)8-12-28/h1-6,15,17,19,24,31H,7-14,16,18,27-29H2,(H,30,33)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104903
(US8569313, Inhibitor 10)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccncc1 |w:11.12| Show InChI InChI=1S/C28H34N6O3S/c29-12-7-20-10-15-34(16-11-20)28(35)26(18-21-3-1-5-24(17-21)27(30)31)33-38(36,37)25-6-2-4-23(19-25)22-8-13-32-14-9-22/h1-6,8-9,13-14,17,19-20,26,33H,7,10-12,15-16,18,29H2,(H3,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104913
(CHEMBL523865 | US8569313, Inhibitor 25)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H35N7O6S/c1-2-39-26(36)33-13-11-32(12-14-33)25(35)22(16-18-5-3-6-19(15-18)24(28)29)31-40(37,38)21-8-4-7-20(17-21)30-23(34)9-10-27/h3-8,15,17,22,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,34)/t22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104924
(US8569313, Inhibitor 41)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C36H47N5O4S/c1-36(2,3)30-16-14-27(15-17-30)28-10-7-12-31(24-28)46(44,45)40-32(23-26-9-5-11-29(22-26)34(37)38)35(43)41-20-18-25(19-21-41)8-6-13-33(42)39-4/h5,7,9-12,14-17,22,24-25,32,40H,6,8,13,18-21,23H2,1-4H3,(H3,37,38)(H,39,42)/t32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104901
(US8569313, Inhibitor 8)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1cccc(Cl)c1 |w:11.12| Show InChI InChI=1S/C29H34ClN5O3S/c30-25-8-2-5-22(18-25)23-6-3-9-26(19-23)39(37,38)34-27(17-21-4-1-7-24(16-21)28(32)33)29(36)35-14-11-20(10-13-31)12-15-35/h1-9,16,18-20,27,34H,10-15,17,31H2,(H3,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104915
(US8569313, Inhibitor 29)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-n1ncccc1=O |w:15.16| Show InChI InChI=1S/C30H37N7O5S/c1-33-27(38)11-3-6-21-13-16-36(17-14-21)30(40)26(19-22-7-2-8-23(18-22)29(31)32)35-43(41,42)25-10-4-9-24(20-25)37-28(39)12-5-15-34-37/h2,4-5,7-10,12,15,18,20-21,26,35H,3,6,11,13-14,16-17,19H2,1H3,(H3,31,32)(H,33,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104895
(US8569313, Inhibitor 2)Show SMILES NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |w:11.12| Show InChI InChI=1S/C29H35N5O3S/c30-15-12-21-13-16-34(17-14-21)29(35)27(19-22-6-4-10-25(18-22)28(31)32)33-38(36,37)26-11-5-9-24(20-26)23-7-2-1-3-8-23/h1-11,18,20-21,27,33H,12-17,19,30H2,(H3,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50254220
(CHEMBL513339 | N-{3-[(S)-2-[4-(2-Amino-ethyl)-pipe...)Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCO)c1 |r| Show InChI InChI=1S/C26H36N6O5S/c27-11-7-18-8-12-32(13-9-18)26(35)23(16-19-3-1-4-20(15-19)25(28)29)31-38(36,37)22-6-2-5-21(17-22)30-24(34)10-14-33/h1-6,15,17-18,23,31,33H,7-14,16,27H2,(H3,28,29)(H,30,34)/t23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104934
(US8569313, Inhibitor 51)Show SMILES COCCOCCC(=O)NCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r,Sg:n:2,1,4,3::ht| Show InChI InChI=1S/C31H45N7O7S/c1-44-16-17-45-15-11-28(39)35-21-29(40)36-25-6-3-7-26(20-25)46(42,43)37-27(19-23-4-2-5-24(18-23)30(33)34)31(41)38-13-9-22(8-12-32)10-14-38/h2-7,18,20,22,27,37H,8-17,19,21,32H2,1H3,(H3,33,34)(H,35,39)(H,36,40)/t27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104920
(US8569313, Inhibitor 35)Show SMILES COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(CN)c1)C(=O)N1CCC(CCN)CC1 |w:18.20| Show InChI InChI=1S/C30H38N4O4S/c1-38-27-10-8-25(9-11-27)26-6-3-7-28(20-26)39(36,37)33-29(19-23-4-2-5-24(18-23)21-32)30(35)34-16-13-22(12-15-31)14-17-34/h2-11,18,20,22,29,33H,12-17,19,21,31-32H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104935
(US8569313, Inhibitor 52)Show SMILES COCCOCCNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r,Sg:n:4,3,2,1::ht| Show InChI InChI=1S/C32H46N8O8S/c1-47-18-19-48-17-12-36-28(41)8-9-30(43)39-13-15-40(16-14-39)32(44)27(21-23-4-2-5-24(20-23)31(34)35)38-49(45,46)26-7-3-6-25(22-26)37-29(42)10-11-33/h2-7,20,22,27,38H,8-19,21,33H2,1H3,(H3,34,35)(H,36,41)(H,37,42)/t27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257510
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r| Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104919
(US8569313, Inhibitor 33)Show SMILES CCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(=N)NO)C(=O)N1CCC(CCCC(=O)NC)CC1 |r| Show InChI InChI=1S/C34H43N5O5S/c1-3-24-13-15-27(16-14-24)28-9-6-11-30(23-28)45(43,44)38-31(22-26-8-4-10-29(21-26)33(35)37-42)34(41)39-19-17-25(18-20-39)7-5-12-32(40)36-2/h4,6,8-11,13-16,21,23,25,31,38,42H,3,5,7,12,17-20,22H2,1-2H3,(H2,35,37)(H,36,40)/t31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
US Patent
| Assay Description
Inhibition assay using matriptase enzyme |
US Patent US8569313 (2013)
BindingDB Entry DOI: 10.7270/Q2639ND5 |
More data for this
Ligand-Target Pair | |
Search and Browse
