BindingDB logo
myBDB logout

null

SMILES: Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1

InChI Key: InChIKey=PZKCJQNFNHMYCT-HHHXNRCGSA-N

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 1 hit for monomerid = 405882   
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 IX


(Homo sapiens (Human))		BDBM405882
PNG
(US10351558, Example 57)
Show SMILES Cc1ccc2n3C[C@@](CCc3nc2c1)(NC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H23ClN6O/c1-18-7-10-24-23(13-18)31-25-11-12-27(15-34(24)25,19-5-3-2-4-6-19)32-26(35)21-9-8-20(14-22(21)28)33-16-29-30-17-33/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,32,35)/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.42n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
TBD

US Patent US10351558 (2019)


BindingDB Entry DOI: 10.7270/Q2SX6GKR
More data for this
Ligand-Target Pair