BindingDB logo
myBDB logout

BDBM335743 1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrrolo[3,2-c]pyridin-1-ylmethyl]-benzyl}-1H-pyridin-2-one::US9738641, 8

SMILES: Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12

InChI Key: InChIKey=UJASRHWJAKFURS-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 335743   
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
Kallikrein 1


(Homo sapiens (Human))
BDBM335743
PNG
(1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrro...)
Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12
Show InChI InChI=1S/C29H29N5O/c1-21-16-24(17-30)9-10-25(21)18-32-29-26-12-15-33(27(26)11-13-31-29)19-22-5-7-23(8-6-22)20-34-14-3-2-4-28(34)35/h2-16H,17-20,30H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+3n/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 US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335743
PNG
(1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrro...)
Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12
Show InChI InChI=1S/C29H29N5O/c1-21-16-24(17-30)9-10-25(21)18-32-29-26-12-15-33(27(26)11-13-31-29)19-22-5-7-23(8-6-22)20-34-14-3-2-4-28(34)35/h2-16H,17-20,30H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30E+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 US9738641 (2017)

More data for this
Ligand-Target Pair