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BDBM50359552 CHEMBL1927307

SMILES: CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O

InChI Key: InChIKey=TWTJLEWMIFXFCW-OWQZSLJZSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50359552   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50359552
PNG
(CHEMBL1927307)
Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36|
Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1
PDB
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PC cid
PC sid
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Similars

Article
PubMed
3.10E+5n/an/an/an/an/an/an/an/a



Universit£t Bielefeld

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem 19: 7236-43 (2011)


Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50359552
PNG
(CHEMBL1927307)
Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36|
Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1
PDB

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antibodypedia
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Article
PubMed
6.80E+5n/an/an/an/an/an/an/an/a



Universit£t Bielefeld

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem 19: 7236-43 (2011)


Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM50359552
PNG
(CHEMBL1927307)
Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36|
Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
1.80E+6n/an/an/an/an/an/an/an/a



Universit£t Bielefeld

Curated by ChEMBL


Assay Description
Inhibition of tissue kallikrein


Bioorg Med Chem 19: 7236-43 (2011)


Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50359552
PNG
(CHEMBL1927307)
Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36|
Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30E+6n/an/an/an/an/an/an/an/a



Universit£t Bielefeld

Curated by ChEMBL


Assay Description
Inhibition of plasma kallikrein


Bioorg Med Chem 19: 7236-43 (2011)


Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG
More data for this
Ligand-Target Pair