BDBM50501412 CHEMBL4096052

SMILES: Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1

InChI Key: InChIKey=BOWUSYAEJXVADO-HNNXBMFYSA-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 4 hits for monomerid = 50501412   

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
p110β/p85α (Homo sapiens (Human))	BDBM50501412 (CHEMBL4096052) Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r| Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50501412 (CHEMBL4096052) Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r| Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PI3Kgamma using PIP2/ATP as substrate after 30 mins by TR-FRET assay				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50501412 (CHEMBL4096052) Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r| Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/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	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50501412 (CHEMBL4096052) Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r| Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PI3K p110alpha/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair