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BDBM143618 US9682983, 14

SMILES: OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=FZKAIVDWZQOLKN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 143618   
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))
BDBM143618
PNG
(US9682983, 14)
Show SMILES OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H29N7O/c36-14-11-30-16-20-1-6-25-24(7-8-31-27(25)15-20)26-18-33-35-19-22(17-32-28(26)35)21-2-4-23(5-3-21)34-12-9-29-10-13-34/h1-8,15,17-19,29-30,36H,9-14,16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.95E+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
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM143618
PNG
(US9682983, 14)
Show SMILES OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H29N7O/c36-14-11-30-16-20-1-6-25-24(7-8-31-27(25)15-20)26-18-33-35-19-22(17-32-28(26)35)21-2-4-23(5-3-21)34-12-9-29-10-13-34/h1-8,15,17-19,29-30,36H,9-14,16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.76E+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
Activin receptor-like kinase 3 (ALK-3)


(Homo sapiens (Human))
BDBM143618
PNG
(US9682983, 14)
Show SMILES OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H29N7O/c36-14-11-30-16-20-1-6-25-24(7-8-31-27(25)15-20)26-18-33-35-19-22(17-32-28(26)35)21-2-4-23(5-3-21)34-12-9-29-10-13-34/h1-8,15,17-19,29-30,36H,9-14,16H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.93E+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
Activin receptor type-1


(Homo sapiens)
BDBM143618
PNG
(US9682983, 14)
Show SMILES OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H29N7O/c36-14-11-30-16-20-1-6-25-24(7-8-31-27(25)15-20)26-18-33-35-19-22(17-32-28(26)35)21-2-4-23(5-3-21)34-12-9-29-10-13-34/h1-8,15,17-19,29-30,36H,9-14,16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 517n/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