BDBM350453 US10208066, Compound 77::US10611777, Compound 77

SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1

InChI Key: InChIKey=XTQRXBOTMGHKJR-JTQLQIEISA-N

Data: 6 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 6 hits for monomerid = 350453   

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))	BDBM350453 (US10208066, Compound 77 | US10611777, Compound 77) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r| Show InChI InChI=1S/C18H14ClN9/c1-10(26-18-13(6-20)17(21)24-9-25-18)12-5-15-23-8-14(19)28(15)27-16(12)11-3-2-4-22-7-11/h2-5,7-10H,1H3,(H3,21,24,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM350453 (US10208066, Compound 77 | US10611777, Compound 77) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r| Show InChI InChI=1S/C18H14ClN9/c1-10(26-18-13(6-20)17(21)24-9-25-18)12-5-15-23-8-14(19)28(15)27-16(12)11-3-2-4-22-7-11/h2-5,7-10H,1H3,(H3,21,24,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM350453 (US10208066, Compound 77 | US10611777, Compound 77) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r| Show InChI InChI=1S/C18H14ClN9/c1-10(26-18-13(6-20)17(21)24-9-25-18)12-5-15-23-8-14(19)28(15)27-16(12)11-3-2-4-22-7-11/h2-5,7-10H,1H3,(H3,21,24,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM350453 (US10208066, Compound 77 | US10611777, Compound 77) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r| Show InChI InChI=1S/C18H14ClN9/c1-10(26-18-13(6-20)17(21)24-9-25-18)12-5-15-23-8-14(19)28(15)27-16(12)11-3-2-4-22-7-11/h2-5,7-10H,1H3,(H3,21,24,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM350453 (US10208066, Compound 77 | US10611777, Compound 77) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r| Show InChI InChI=1S/C18H14ClN9/c1-10(26-18-13(6-20)17(21)24-9-25-18)12-5-15-23-8-14(19)28(15)27-16(12)11-3-2-4-22-7-11/h2-5,7-10H,1H3,(H3,21,24,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM350453 (US10208066, Compound 77 | US10611777, Compound 77) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccnc1 |r| Show InChI InChI=1S/C18H14ClN9/c1-10(26-18-13(6-20)17(21)24-9-25-18)12-5-15-23-8-14(19)28(15)27-16(12)11-3-2-4-22-7-11/h2-5,7-10H,1H3,(H3,21,24,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair