BDBM50239725 CHEMBL4070164

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ncco2)c2c(N)ncnn12

InChI Key: InChIKey=XDWMFWLEUPGXEZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50239725   

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))	BDBM50239725 (CHEMBL4070164) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ncco2)c2c(N)ncnn12 Show InChI InChI=1S/C23H23N7O3/c1-14(31)29-9-8-28(22(32)23(29,2)3)16-6-4-5-15(11-16)18-12-17(21-25-7-10-33-21)19-20(24)26-13-27-30(18)19/h4-7,10-13H,8-9H2,1-3H3,(H2,24,26,27)	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	410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239725 (CHEMBL4070164) Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ncco2)c2c(N)ncnn12 Show InChI InChI=1S/C23H23N7O3/c1-14(31)29-9-8-28(22(32)23(29,2)3)16-6-4-5-15(11-16)18-12-17(21-25-7-10-33-21)19-20(24)26-13-27-30(18)19/h4-7,10-13H,8-9H2,1-3H3,(H2,24,26,27)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...				J Med Chem 60: 5193-5208 (2017) Article DOI: 10.1021/acs.jmedchem.7b00618 BindingDB Entry DOI: 10.7270/Q2WW7KVJ
					More data for this Ligand-Target Pair