BDBM50193012 CHEMBL3926951

SMILES: CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12

InChI Key: InChIKey=HTVKDECMTMXAPH-UHFFFAOYSA-N

Data: 4 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 8 hits for monomerid = 50193012   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay				ACS Med Chem Lett 7: 908-912 (2016) Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay				ACS Med Chem Lett 7: 908-912 (2016) Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay				ACS Med Chem Lett 7: 908-912 (2016) Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50193012 (CHEMBL3926951 | US11155556, No. 6) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)Nc3ccc(NC(=O)C=C)cc3)nc12 Show InChI InChI=1S/C29H27N7O4S/c1-5-26(37)31-19-7-9-21(10-8-19)34-41(39,40)22-13-11-20(12-14-22)32-29-30-17-25-27(33-29)35(3)24-15-6-18(2)16-23(24)28(38)36(25)4/h5-17,34H,1H2,2-4H3,(H,31,37)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay				ACS Med Chem Lett 7: 908-912 (2016) Article DOI: 10.1021/acsmedchemlett.6b00209 BindingDB Entry DOI: 10.7270/Q27P91B0
					More data for this Ligand-Target Pair