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BDBM182995 US9150544, 29

SMILES: Cc1cc2c(N)nccc2cc1C[C@@H](N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCCC2)C1=O)C(O)=O

InChI Key: InChIKey=ZUHPACHWDGIPCQ-QINVSXPYNA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 182995   
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))
BDBM182995
PNG
(US9150544, 29)
Show SMILES Cc1cc2c(N)nccc2cc1C[C@@H](N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCCC2)C1=O)C(O)=O
Show InChI InChI=1/C24H28N6O5S2/c1-14-10-17-15(4-6-26-21(17)25)11-16(14)12-19(23(32)33)30-9-5-18(22(30)31)28-37(34,35)20-13-27-24(36-20)29-7-2-3-8-29/h4,6,10-11,13,18-19,28H,2-3,5,7-9,12H2,1H3,(H2,25,26)(H,32,33)/t18-,19+/s2
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PC cid
PC sid
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Similars

US Patent
n/an/a 150n/an/an/an/a7.0n/a



Sanofi

US Patent


Assay Description
The compounds according to the invention are tested in a range of concentrations (10pM to 10 ÁM final) in assay buffer (50 mM TRIS, 100 mM NaCl, 0.1 ...


US Patent US9150544 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MKF
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM182995
PNG
(US9150544, 29)
Show SMILES Cc1cc2c(N)nccc2cc1C[C@@H](N1CC[C@H](NS(=O)(=O)c2cnc(s2)N2CCCC2)C1=O)C(O)=O
Show InChI InChI=1/C24H28N6O5S2/c1-14-10-17-15(4-6-26-21(17)25)11-16(14)12-19(23(32)33)30-9-5-18(22(30)31)28-37(34,35)20-13-27-24(36-20)29-7-2-3-8-29/h4,6,10-11,13,18-19,28H,2-3,5,7-9,12H2,1H3,(H2,25,26)(H,32,33)/t18-,19+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 190n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
The compounds according to the invention are tested in a range of concentrations (4.9 nM to 5 ÁM final) and deposited in a proportion of 25 Ál per we...


US Patent US9150544 (2015)


BindingDB Entry DOI: 10.7270/Q27S7MKF
More data for this
Ligand-Target Pair