Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50016412 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50112086
(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079890
(CHEMBL3415215)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C26H26FN7O3/c1-2-33-21-9-7-17(26(37)34(12-10-24(35)36)22-5-3-4-11-30-22)14-20(21)32-23(33)15-31-19-8-6-16(25(28)29)13-18(19)27/h3-9,11,13-14,31H,2,10,12,15H2,1H3,(H3,28,29)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079895
(CHEMBL3415211)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079937
(CHEMBL3415064)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-11-9-18(27(37)34(13-12-25(35)36)19-6-4-3-5-7-19)15-22(23)32-24(33)16-31-21-10-8-17(26(29)30)14-20(21)28/h3-11,14-15,31H,2,12-13,16H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079936
(CHEMBL3415065)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C Show InChI InChI=1S/C28H29FN6O3/c1-3-34-24-11-9-19(28(38)35(13-12-26(36)37)23-7-5-4-6-17(23)2)15-22(24)33-25(34)16-32-21-10-8-18(27(30)31)14-20(21)29/h4-11,14-15,32H,3,12-13,16H2,1-2H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079896
(CHEMBL3415210)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H29FN6O4/c1-3-34-24-10-8-18(28(38)35(12-11-26(36)37)19-5-4-6-20(15-19)39-2)14-23(24)33-25(34)16-32-22-9-7-17(27(30)31)13-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM |
More data for this
Ligand-Target Pair | |
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