BindingDB BDBM50462710 CHEMBL4251324

BDBM50462710 CHEMBL4251324

SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

InChI Key InChIKey=IMDMAPNWXDTADU-UHFFFAOYSA-N

Data 2 KI 35 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50462710

Rho-associated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

Ki: 13nMAssay Description:Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed PDB

3D Structure (crystal)

cAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

Ki: >4.00E+3nMAssay Description:Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase c...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Tyrosine-protein kinase JAK3(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of JAK3 (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Receptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of FLT-3 (unknown origin)More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Mitogen-activated protein kinase kinase kinase 8(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >4.00E+3nMAssay Description:Inhibition of COT (unknown origin)More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Serine/threonine-protein kinase PAK 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of PAK1 (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Mitogen-activated protein kinase 10(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >3.30E+3nMAssay Description:Inhibition of JNK3 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Mitogen-activated protein kinase kinase kinase 7(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of TAK1 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Tyrosine-protein kinase SYK(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >2.50E+3nMAssay Description:Inhibition of SYK (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Proto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >3.30E+3nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Serine/threonine-protein kinase PLK1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of PLK1 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Protein kinase C epsilon type(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of PKC-epsilon (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of PDK1 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Mitogen-activated protein kinase kinase kinase 10(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of MLK2 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Tyrosine-protein kinase Lck(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Interleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of IRAK4 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Interleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of IRAK1 (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

eIF-2-alpha kinase GCN2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of GCN2 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Mitogen-activated protein kinase kinase kinase kinase 2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of GCK (unknown origin)More data for this Ligand-Target Pair

MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Focal adhesion kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of FAK (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Aurora kinase C(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of AURC (unknown origin)More data for this Ligand-Target Pair

PDB NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Aurora kinase B(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of AURB (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Aurora kinase A(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of AURA (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

RAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of AKT2 (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

RAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of AKT1 (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Serine/threonine-protein kinase Sgk1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of SGK1 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Cyclin-dependent kinase 2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >3.30E+3nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Tyrosine-protein kinase ZAP-70(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >3.30E+3nMAssay Description:Inhibition of ZAP70 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Rho-associated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: 7nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed PDB

3D Structure (crystal)

Vascular endothelial growth factor receptor 2(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of KDR (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Glycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >3.30E+3nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Mitogen-activated protein kinase 1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >2.50E+3nMAssay Description:Inhibition of ERK2 (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Serine/threonine-protein kinase TBK1(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of NAK (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Inhibitor of nuclear factor kappa-B kinase subunit epsilon(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >5.00E+3nMAssay Description:Inhibition of IKKi (unknown origin)More data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Citron Rho-interacting kinase(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >4.00E+3nMAssay Description:Inhibition of CIT (unknown origin)More data for this Ligand-Target Pair

Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Protein kinase C theta type(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL

PNG

BDBM50462710(CHEMBL4251324)

IC50: >1.00E+4nMAssay Description:Inhibition of PKCtheta (unknown origin)More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

PC cid PC sid PDB

Details Article PubMed

Filter my 37 hits

Targets 36▿
- Rho-associated protein kinase 1 2
- 3-phosphoinositide-dependent protein kinase 1 1
- Mitogen-activated protein kinase 1 1
- Tyrosine-protein kinase Lck 1
- Inhibitor of nuclear factor kappa-B kinase subunit epsilon 1
- Tyrosine-protein kinase SYK 1
- Mitogen-activated protein kinase kinase kinase kinase 2 1
- Protein kinase C epsilon type 1
- Serine/threonine-protein kinase TBK1 1
- Serine/threonine-protein kinase ATR 1
- Aurora kinase B 1
- Vascular endothelial growth factor receptor 2 1
- Aurora kinase A 1
- Glycogen synthase kinase-3 beta 1
- Aurora kinase C 1
- Serine/threonine-protein kinase PLK1 1
- Receptor-type tyrosine-protein kinase FLT3 1
- Interleukin-1 receptor-associated kinase 4 1
- Interleukin-1 receptor-associated kinase 1 1
- Mitogen-activated protein kinase kinase kinase 8 1
- Mitogen-activated protein kinase 10 1
- RAC-beta serine/threonine-protein kinase 1
- Mitogen-activated protein kinase kinase kinase 7 1
- Citron Rho-interacting kinase 1
- cAMP-dependent protein kinase catalytic subunit alpha 1
- Protein kinase C theta type 1
- Serine/threonine-protein kinase PAK 1 1
- eIF-2-alpha kinase GCN2 1
- Focal adhesion kinase 1 1
- RAC-alpha serine/threonine-protein kinase 1
- Cyclin-dependent kinase 2 1
- Tyrosine-protein kinase JAK3 1
- Tyrosine-protein kinase ZAP-70 1
- Serine/threonine-protein kinase Sgk1 1
- Proto-oncogene tyrosine-protein kinase Src 1
- Mitogen-activated protein kinase kinase kinase 10 1
Publications 1▿
- Bioorg Med Chem Lett 28: 2616-2621 (2018) 37
Institutions 1▿
- Vertex Pharmaceuticals 37
Affinity: 7 to 1.0E+4 nM▿
- Ki 2
- IC50 35
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 0