BindingDB logo
myBDB logout

BDBM50391540 CHEMBL2147469

SMILES: [#6]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#6]-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

InChI Key: InChIKey=LRHLULGPZSFCCN-FCZRYSCVNA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50391540   
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
Thrombin


(Bos taurus (Bovine))
BDBM50391540
PNG
(CHEMBL2147469)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N[C@H](CO)CCCN=C(N)N
Show InChI InChI=1/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22-,25+,26-,27+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using Bz-Phe-Val-Arg-pNA as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluori...


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
BindingDB Entry DOI: 10.7270/Q2Z03979
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50391540
PNG
(CHEMBL2147469)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N[C@H](CO)CCCN=C(N)N
Show InChI InChI=1/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22-,25+,26-,27+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B using Z-Phe-Arg-MCA as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by fluorimetric a...


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
BindingDB Entry DOI: 10.7270/Q2Z03979
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50391540
PNG
(CHEMBL2147469)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N[C@H](CO)CCCN=C(N)N
Show InChI InChI=1/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22-,25+,26-,27+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.90E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
BindingDB Entry DOI: 10.7270/Q2Z03979
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50391540
PNG
(CHEMBL2147469)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N[C@H](CO)CCCN=C(N)N
Show InChI InChI=1/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22-,25+,26-,27+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.50E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
BindingDB Entry DOI: 10.7270/Q2Z03979
More data for this
Ligand-Target Pair