BDBM50513788 CHEMBL4558162

SMILES Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1

InChI Key InChIKey=VFDVYUMIEWOVJX-UHFFFAOYSA-N

Data  31 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50513788   

TargetHigh affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE7A1 catalytic domain (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetBromodomain-containing protein 4(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetEstrogen receptor(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human Gal4-fused ER alpha expressed in 293FT cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant full-length human His-tagged ABL1 expressed in baculovirus expression system using Tyr2 peptide as substrate after 2 hrs by...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetHistone deacetylase 6(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human full length HDAC6 expressed in Sf9 insect cells using acetylated peptide as susbtrate after 60 mins by fluorescence b...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of electric eel AChE using ATC as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair

Target InfoUniProtKB/SwissProt
GoogleScholar

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TargetCholinesterase(Equus caballus (Horse))
Sun Yat-Sen University

Curated by ChEMBL

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Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of equine serum BuChE using BTC as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair

Target InfoPDB
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TargetEstrogen receptor beta(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of ER beta ((unknown origin))More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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TargetFibroblast growth factor receptor 1(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FGFR1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FLT3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayReactome pathway
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TargetAurora kinase A(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetAurora kinase B(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Aurora B (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetEpidermal growth factor receptor(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetMitogen-activated protein kinase kinase kinase 20(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of ZAK (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBNCI pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDB

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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human N-terminal GST-tagged PDE1C catalytic domain (2 to 634 residues) expressed in baculovirus infected Sf9 cellsMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
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TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE2A catalytic domain (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
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TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetCone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE6C (1 to 858 residues) (unknown origin)More data for this Ligand-Target Pair

Target InfoUniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

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TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

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TargetHistone deacetylase 1(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using acetylated peptide as susbtrate afte...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50:  4.70E+3nMAssay Description:Inhibition of human ERG expressd in CHO-hERG cells after 2.5 hrs by Rb+ efflux assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
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Ligand InfoPC cidPC sidPDB

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TargetFibroblast growth factor receptor 4(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FGFR4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PLK1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

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Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of COX2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

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TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE1B catalytic domain (10 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE3A catalytic domain (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of PDE9A2 catalytic domain (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 cellsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

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TargetFibroblast growth factor receptor 2(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FGFR2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

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TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50:  0.440nMAssay Description:Inhibition of human PDE10A2 catalytic domain (446 to 789 residues) expressed in Escherichia coli BL21 cells using [3H]-cGMP as substrate after 15 min...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetFibroblast growth factor receptor 3(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL

LigandBDBM50513788(CHEMBL4558162)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FGFR3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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