BDBM50646058 CHEMBL4752051

SMILES Nc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl

InChI Key

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50646058   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataKd:  0.530nMAssay Description:Binding affinity to SHP2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQKASINFQK-NH2-activated SHP2 (unknown origin) using DiFMUP as substrate pretreated with enzyme for 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPOU domain, class 2, transcription factor 2(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of OCT2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSolute carrier organic anion transporter family member 1B3(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of OATP1B3 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetATP-dependent translocase ABCB1(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MDR1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of BCRP (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSolute carrier family 22 member 8(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of OAT3 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSolute carrier family 22 member 6(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50646058(CHEMBL4752051)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of OAT1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed