BDBM50436456 CHEMBL2397194

SMILES: Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1

InChI Key: InChIKey=LZHWZDRNJFDAFI-ZDUSSCGKSA-N

Data: 8 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 = 50436456   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	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	440	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50436456 (CHEMBL2397194) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r| Show InChI InChI=1S/C18H22N6O2S/c1-10-14(12-7-8-20-16(22-12)11-4-2-5-11)27-17(21-10)23-18(26)24-9-3-6-13(24)15(19)25/h7-8,11,13H,2-6,9H2,1H3,(H2,19,25)(H,21,23,26)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA				Bioorg Med Chem Lett 23: 3741-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.007 BindingDB Entry DOI: 10.7270/Q2M046VD
					More data for this Ligand-Target Pair