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SMILES: NC(=N)c1cccc(c1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1

InChI Key: InChIKey=FYNBULMHFONNTQ-VWLOTQADSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50106052   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50106052
PNG
(3-Carbamimidoyl-N-[(S)-phenyl-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H25N5O4S/c29-26(30)20-9-6-10-21(17-20)27(34)33-25(19-7-2-1-3-8-19)28(35)32-22-15-13-18(14-16-22)23-11-4-5-12-24(23)38(31,36)37/h1-17,25H,(H3,29,30)(H,32,35)(H,33,34)(H2,31,36,37)/t25-/m0/s1
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 11: 2947-50 (2001)


BindingDB Entry DOI: 10.7270/Q27H1HW6
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50106052
PNG
(3-Carbamimidoyl-N-[(S)-phenyl-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H25N5O4S/c29-26(30)20-9-6-10-21(17-20)27(34)33-25(19-7-2-1-3-8-19)28(35)32-22-15-13-18(14-16-22)23-11-4-5-12-24(23)38(31,36)37/h1-17,25H,(H3,29,30)(H,32,35)(H,33,34)(H2,31,36,37)/t25-/m0/s1
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PubMed
n/an/a 5.17E+3n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 11: 2947-50 (2001)


BindingDB Entry DOI: 10.7270/Q27H1HW6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50106052
PNG
(3-Carbamimidoyl-N-[(S)-phenyl-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H25N5O4S/c29-26(30)20-9-6-10-21(17-20)27(34)33-25(19-7-2-1-3-8-19)28(35)32-22-15-13-18(14-16-22)23-11-4-5-12-24(23)38(31,36)37/h1-17,25H,(H3,29,30)(H,32,35)(H,33,34)(H2,31,36,37)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 337n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human coagulation factor Xa.


Bioorg Med Chem Lett 11: 2947-50 (2001)


BindingDB Entry DOI: 10.7270/Q27H1HW6
More data for this
Ligand-Target Pair