BDBM50239400 CHEMBL4080605

SMILES: C[C@H](c1nc2cccc(C)c2c(=O)n1-c1ccccc1C)n1cnc2c(N)ncnc12

InChI Key: InChIKey=DGRRTXHMRRNKFX-OAHLLOKOSA-N

Data: 2 KI

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 2 hits for monomerid = 50239400   

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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50239400 (CHEMBL4080605) Show SMILES C[C@H](c1nc2cccc(C)c2c(=O)n1-c1ccccc1C)n1cnc2c(N)ncnc12 |r,wU:1.0,(62.07,-11.74,;60.73,-12.49,;59.4,-11.7,;58.06,-12.44,;56.74,-11.66,;55.41,-12.42,;54.08,-11.63,;54.09,-10.09,;55.43,-9.33,;55.44,-7.79,;56.77,-10.12,;58.1,-9.36,;58.13,-7.82,;59.43,-10.16,;60.77,-9.41,;62.09,-10.21,;63.44,-9.46,;63.46,-7.92,;62.13,-7.12,;60.79,-7.88,;59.47,-7.09,;60.7,-14.03,;61.94,-14.96,;61.44,-16.42,;59.89,-16.39,;58.85,-17.51,;59.3,-18.98,;57.36,-17.17,;56.9,-15.69,;57.96,-14.57,;59.45,-14.92,)| Show InChI InChI=1S/C23H21N7O/c1-13-7-4-5-10-17(13)30-21(28-16-9-6-8-14(2)18(16)23(30)31)15(3)29-12-27-19-20(24)25-11-26-22(19)29/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using P...				J Med Chem 60: 4304-4315 (2017) Article DOI: 10.1021/acs.jmedchem.7b00247 BindingDB Entry DOI: 10.7270/Q2V40XBD
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50239400 (CHEMBL4080605) Show SMILES C[C@H](c1nc2cccc(C)c2c(=O)n1-c1ccccc1C)n1cnc2c(N)ncnc12 |r,wU:1.0,(62.07,-11.74,;60.73,-12.49,;59.4,-11.7,;58.06,-12.44,;56.74,-11.66,;55.41,-12.42,;54.08,-11.63,;54.09,-10.09,;55.43,-9.33,;55.44,-7.79,;56.77,-10.12,;58.1,-9.36,;58.13,-7.82,;59.43,-10.16,;60.77,-9.41,;62.09,-10.21,;63.44,-9.46,;63.46,-7.92,;62.13,-7.12,;60.79,-7.88,;59.47,-7.09,;60.7,-14.03,;61.94,-14.96,;61.44,-16.42,;59.89,-16.39,;58.85,-17.51,;59.3,-18.98,;57.36,-17.17,;56.9,-15.69,;57.96,-14.57,;59.45,-14.92,)| Show InChI InChI=1S/C23H21N7O/c1-13-7-4-5-10-17(13)30-21(28-16-9-6-8-14(2)18(16)23(30)31)15(3)29-12-27-19-20(24)25-11-26-22(19)29/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using P...				J Med Chem 60: 4304-4315 (2017) Article DOI: 10.1021/acs.jmedchem.7b00247 BindingDB Entry DOI: 10.7270/Q2V40XBD
					More data for this Ligand-Target Pair