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SMILES: CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(N)(CC)CC2)n1

InChI Key: InChIKey=HBALAPRVSOJBQZ-UHFFFAOYSA-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 2 hits for monomerid = 488104   
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
Activin receptor type-1


(Homo sapiens (Human))
BDBM488104
PNG
(N-(4-(4-Amino-4- ethylpiperidin-1- yl)phenyl)-4-(1...)
Show SMILES CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(N)(CC)CC2)n1
Show InChI InChI=1S/C27H32N8/c1-3-27(28)12-16-34(17-13-27)22-9-7-21(8-10-22)31-26-30-15-11-24(32-26)23-19-35(4-2)33-25(23)20-6-5-14-29-18-20/h5-11,14-15,18-19H,3-4,12-13,16-17,28H2,1-2H3,(H,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



RIKEN; THE UNIVERSITY OF TOKYO

US Patent


Assay Description
TABLE 5: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 is as follows. In a buffer sol...


US Patent US10954216 (2021)

More data for this
Ligand-Target Pair
Activin receptor type-1 [R206H]


(Homo sapiens (Human))
BDBM488104
PNG
(N-(4-(4-Amino-4- ethylpiperidin-1- yl)phenyl)-4-(1...)
Show SMILES CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(N)(CC)CC2)n1
Show InChI InChI=1S/C27H32N8/c1-3-27(28)12-16-34(17-13-27)22-9-7-21(8-10-22)31-26-30-15-11-24(32-26)23-19-35(4-2)33-25(23)20-6-5-14-29-18-20/h5-11,14-15,18-19H,3-4,12-13,16-17,28H2,1-2H3,(H,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



RIKEN; THE UNIVERSITY OF TOKYO

US Patent


Assay Description
R206H: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 (R206H) is as follows.In a buffe...


US Patent US10954216 (2021)

More data for this
Ligand-Target Pair