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BDBM203864 (S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide (1)

SMILES: COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3ccccc23)cc1

InChI Key: InChIKey=HMNBKWNEJGMBRQ-FQKVKQEKNA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 203864   
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
Kalligrein-7 Y180R (KLK7)


(Homo sapiens (Human))
BDBM203864
PNG
((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...)
Show SMILES COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Recombinant human KLK7 (5 nM concentration) was pre-incubated with inhibitor at various concentrations for 1 h at room temperature in 50 mM sodium ci...


Nat Chem Biol 12: 1105-1110 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D (FD) catalytic domain (Human fD)


(Homo sapiens (Human))
BDBM203864
PNG
((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...)
Show SMILES COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG



Assay Description
Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...


Nat Chem Biol 12: 1105-1110 (2016)

More data for this
Ligand-Target Pair