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BDBM160009 US9682983, 38

SMILES: N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12

InChI Key: InChIKey=QDSMDFVMOMUBDR-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 = 160009   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM160009
PNG
(US9682983, 38)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(6-7-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-3-1-5-24-22(21)4-2-8-29-24/h1-8,13,15-17,28H,9-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 110n/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-1


(Homo sapiens)
BDBM160009
PNG
(US9682983, 38)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(6-7-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-3-1-5-24-22(21)4-2-8-29-24/h1-8,13,15-17,28H,9-12H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 47n/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))
BDBM160009
PNG
(US9682983, 38)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(6-7-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-3-1-5-24-22(21)4-2-8-29-24/h1-8,13,15-17,28H,9-12H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.15E+4n/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)
BDBM160009
PNG
(US9682983, 38)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(6-7-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-3-1-5-24-22(21)4-2-8-29-24/h1-8,13,15-17,28H,9-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.41E+4n/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))
BDBM160009
PNG
(US9682983, 38)
Show SMILES N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Show InChI InChI=1S/C26H21N7/c27-14-19-13-18(6-7-25(19)32-11-9-28-10-12-32)20-15-30-26-23(16-31-33(26)17-20)21-3-1-5-24-22(21)4-2-8-29-24/h1-8,13,15-17,28H,9-12H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.59E+3n/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