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BDBM143313 US9682983, 12

SMILES: Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1

InChI Key: InChIKey=ROCFHKYAFOQDHC-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 143313   
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)
BDBM143313
PNG
(US9682983, 12)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H23N7/c1-17-12-21(20-4-2-3-5-23(20)30-17)22-15-29-32-16-19(14-28-25(22)32)18-6-7-24(27-13-18)31-10-8-26-9-11-31/h2-7,12-16,26H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 43n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM143313
PNG
(US9682983, 12)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H23N7/c1-17-12-21(20-4-2-3-5-23(20)30-17)22-15-29-32-16-19(14-28-25(22)32)18-6-7-24(27-13-18)31-10-8-26-9-11-31/h2-7,12-16,26H,8-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 62n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM143313
PNG
(US9682983, 12)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H23N7/c1-17-12-21(20-4-2-3-5-23(20)30-17)22-15-29-32-16-19(14-28-25(22)32)18-6-7-24(27-13-18)31-10-8-26-9-11-31/h2-7,12-16,26H,8-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 150n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM143313
PNG
(US9682983, 12)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H23N7/c1-17-12-21(20-4-2-3-5-23(20)30-17)22-15-29-32-16-19(14-28-25(22)32)18-6-7-24(27-13-18)31-10-8-26-9-11-31/h2-7,12-16,26H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 718n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair
Activin receptor type-1B


(Homo sapiens)
BDBM143313
PNG
(US9682983, 12)
Show SMILES Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C25H23N7/c1-17-12-21(20-4-2-3-5-23(20)30-17)22-15-29-32-16-19(14-28-25(22)32)18-6-7-24(27-13-18)31-10-8-26-9-11-31/h2-7,12-16,26H,8-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 259n/an/an/an/an/an/a



The Brigham and Women's Hospital, Inc.; Dept. of Health and Human Services, National Institutes of Health

US Patent


Assay Description
Specifically, compounds were assayed using LANCE« Ultra ULight┐ technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2...


US Patent US9682983 (2017)


BindingDB Entry DOI: 10.7270/Q28S4N3R
More data for this
Ligand-Target Pair