Found 5 hits for monomerid = 50420455 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor XIII A chain
(Homo sapiens (Human)) | BDBM50420455
(CHEMBL2086887)Show SMILES NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1 Show InChI InChI=1S/C32H30N6O4S/c33-20-25-12-14-26(15-13-25)21-35-32(39)28-10-6-9-27(19-28)31-36-30(42-37-31)23-38(22-29-11-4-5-17-34-29)43(40,41)18-16-24-7-2-1-3-8-24/h1-19H,20-23,33H2,(H,35,39)/b18-16+ | 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 | >2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50420455
(CHEMBL2086887)Show SMILES NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1 Show InChI InChI=1S/C32H30N6O4S/c33-20-25-12-14-26(15-13-25)21-35-32(39)28-10-6-9-27(19-28)31-36-30(42-37-31)23-38(22-29-11-4-5-17-34-29)43(40,41)18-16-24-7-2-1-3-8-24/h1-19H,20-23,33H2,(H,35,39)/b18-16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of caspase3 |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase 2
(Homo sapiens (Human)) | BDBM50420455
(CHEMBL2086887)Show SMILES NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1 Show InChI InChI=1S/C32H30N6O4S/c33-20-25-12-14-26(15-13-25)21-35-32(39)28-10-6-9-27(19-28)31-36-30(42-37-31)23-38(22-29-11-4-5-17-34-29)43(40,41)18-16-24-7-2-1-3-8-24/h1-19H,20-23,33H2,(H,35,39)/b18-16+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG2 by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase E
(Homo sapiens (Human)) | BDBM50420455
(CHEMBL2086887)Show SMILES NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1 Show InChI InChI=1S/C32H30N6O4S/c33-20-25-12-14-26(15-13-25)21-35-32(39)28-10-6-9-27(19-28)31-36-30(42-37-31)23-38(22-29-11-4-5-17-34-29)43(40,41)18-16-24-7-2-1-3-8-24/h1-19H,20-23,33H2,(H,35,39)/b18-16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of thrombin activated human TG3 by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
Protein-glutamine gamma-glutamyltransferase K
(Homo sapiens (Human)) | BDBM50420455
(CHEMBL2086887)Show SMILES NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1 Show InChI InChI=1S/C32H30N6O4S/c33-20-25-12-14-26(15-13-25)21-35-32(39)28-10-6-9-27(19-28)31-36-30(42-37-31)23-38(22-29-11-4-5-17-34-29)43(40,41)18-16-24-7-2-1-3-8-24/h1-19H,20-23,33H2,(H,35,39)/b18-16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Evotec (UK) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TG1 by fluorescent transamidation assay |
J Med Chem 55: 1021-46 (2012)
Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560 |
More data for this
Ligand-Target Pair | |
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