BDBM50657730 CHEMBL6144731

SMILES CN1CC(F)(F)CCN(C)[C@H]2CC[C@@H](C2)Nc2ncc(C(F)(F)F)c(n2)-c2c[nH]c3c(P(C)(C)=O)c(ccc23)C1=O

InChI Key InChIKey=XDSHGIGIKRXBCF-UHFFFAOYSA-N

Data  17 IC50  1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50657730   

TargetCyclin-H/Cyclin-dependent kinase 7(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataKd:  0.180nMAssay Description:Binding affinity to CDK7/CyclinH (unknown origin) assessed as dissociation constant by SPR assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
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TargetCyclin-Y/Cyclin-dependent kinase 16(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 2.80nMAssay Description:Inhibition of CDK16/CyclinY (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-dependent kinase 18(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 4.20nMAssay Description:Inhibition of CDK18/Cyclin Y (unknown origin)More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetSerine/threonine-protein kinase D3(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 4.60nMAssay Description:Inhibition of PRKD3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetMitogen-activated protein kinase 15(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 7.90nMAssay Description:Inhibition of Erk8 (unknown origin)More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 13nMAssay Description:Inhibition of CDK4/Cyclin D3 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-Y(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 16nMAssay Description:Inhibition of CDK14/Cyclin Y (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetSerine/threonine-protein kinase D1(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 24nMAssay Description:Inhibition of PRKD1 (unknown origin)More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetMitogen-activated protein kinase 7(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 27nMAssay Description:Inhibition of Erk5 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-dependent kinase 2(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 30nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetSerine/threonine-protein kinase D2(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 45nMAssay Description:Inhibition of PRKD2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetHomeodomain-interacting protein kinase 4(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 55nMAssay Description:Inhibition of HIPK4 (unknown origin)More data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-dependent kinase 12(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 62nMAssay Description:Inhibition of CDK12 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 146nMAssay Description:Inhibition of CDK4/CyclinD1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetCyclin-dependent kinase 9(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 258nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetRibosomal protein S6 kinase alpha-3(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 292nMAssay Description:Inhibition of RSK2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
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Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetSerine/threonine-protein kinase ULK1(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 368nMAssay Description:Inhibition of ULK1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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TargetSerine/threonine-protein kinase TAO1(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL

LigandBDBM50657730(CHEMBL6144731)Copy SMILESCopy InChI

Affinity DataIC50: 546nMAssay Description:Inhibition of TAOK1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand Info

In Depth
Date in BDB:
6/4/2026
Entry Details
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