BDBM50537726 CHEMBL4635364

SMILES: [H][C@]12CN([C@]([H])(CN1c1nc(ncc1C#N)-c1cnn(C)c1)C2)S(=O)(=O)C1CC1

InChI Key: InChIKey=AQNIGKMKZXSRSH-KBPBESRZSA-N

Data: 2 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 3 hits for monomerid = 50537726   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50537726 (CHEMBL4635364) Show SMILES [H][C@]12CN([C@]([H])(CN1c1nc(ncc1C#N)-c1cnn(C)c1)C2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C17H19N7O2S/c1-22-8-12(7-20-22)16-19-6-11(5-18)17(21-16)23-9-14-4-13(23)10-24(14)27(25,26)15-2-3-15/h6-8,13-15H,2-4,9-10H2,1H3/t13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of the fibroblast growth factor receptor (FGFR1)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	US11230547, Compound 2-2 (CHEMBL4635364) Show SMILES [H][C@]12CN([C@]([H])(CN1c1nc(ncc1C#N)-c1cnn(C)c1)C2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C17H19N7O2S/c1-22-8-12(7-20-22)16-19-6-11(5-18)17(21-16)23-9-14-4-13(23)10-24(14)27(25,26)15-2-3-15/h6-8,13-15H,2-4,9-10H2,1H3/t13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50537726 (CHEMBL4635364) Show SMILES [H][C@]12CN([C@]([H])(CN1c1nc(ncc1C#N)-c1cnn(C)c1)C2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C17H19N7O2S/c1-22-8-12(7-20-22)16-19-6-11(5-18)17(21-16)23-9-14-4-13(23)10-24(14)27(25,26)15-2-3-15/h6-8,13-15H,2-4,9-10H2,1H3/t13-,14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair