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BDBM186911 US9670157, 77 5-Benzyl-1-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid 4-aminomethyl-benzylamide::US9834513, 78

SMILES: CCCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1

InChI Key: InChIKey=TXFLOUBVCQUPIW-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 186911   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM186911
PNG
(US9670157, 77 5-Benzyl-1-ethyl-4-methyl-1H-pyrrole...)
Show SMILES CCCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C24H29N3O/c1-3-13-27-22(15-19-7-5-4-6-8-19)18(2)14-23(27)24(28)26-17-21-11-9-20(16-25)10-12-21/h4-12,14H,3,13,15-17,25H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.72E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM186911
PNG
(US9670157, 77 5-Benzyl-1-ethyl-4-methyl-1H-pyrrole...)
Show SMILES CCCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C24H29N3O/c1-3-13-27-22(15-19-7-5-4-6-8-19)18(2)14-23(27)24(28)26-17-21-11-9-20(16-25)10-12-21/h4-12,14H,3,13,15-17,25H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Kalvista Pharmceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9834513 (2017)


Article DOI: 10.1016/j.bmcl.2005.08.017
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM186911
PNG
(US9670157, 77 5-Benzyl-1-ethyl-4-methyl-1H-pyrrole...)
Show SMILES CCCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C24H29N3O/c1-3-13-27-22(15-19-7-5-4-6-8-19)18(2)14-23(27)24(28)26-17-21-11-9-20(16-25)10-12-21/h4-12,14H,3,13,15-17,25H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.13E+3n/an/an/an/an/an/a



Kalvista Pharmceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9834513 (2017)


Article DOI: 10.1016/j.bmcl.2005.08.017
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM186911
PNG
(US9670157, 77 5-Benzyl-1-ethyl-4-methyl-1H-pyrrole...)
Show SMILES CCCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C24H29N3O/c1-3-13-27-22(15-19-7-5-4-6-8-19)18(2)14-23(27)24(28)26-17-21-11-9-20(16-25)10-12-21/h4-12,14H,3,13,15-17,25H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9670157 (2017)


BindingDB Entry DOI: 10.7270/Q2F769QG
More data for this
Ligand-Target Pair