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BDBM322169 US10183931, Example 170

SMILES: Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1cccc(OCC(=O)NC2CC2)c1

InChI Key: InChIKey=XWSHFUIHULMPOO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 322169   
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
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM322169
PNG
(US10183931, Example 170)
Show SMILES Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1cccc(OCC(=O)NC2CC2)c1
Show InChI InChI=1S/C23H22N6O2/c1-14-9-21(26-18-7-8-20-16(10-18)12-24-29-20)28-23(25-14)15-3-2-4-19(11-15)31-13-22(30)27-17-5-6-17/h2-4,7-12,17H,5-6,13H2,1H3,(H,24,29)(H,27,30)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10E+3n/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM322169
PNG
(US10183931, Example 170)
Show SMILES Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1cccc(OCC(=O)NC2CC2)c1
Show InChI InChI=1S/C23H22N6O2/c1-14-9-21(26-18-7-8-20-16(10-18)12-24-29-20)28-23(25-14)15-3-2-4-19(11-15)31-13-22(30)27-17-5-6-17/h2-4,7-12,17H,5-6,13H2,1H3,(H,24,29)(H,27,30)(H,25,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair