BDBM50321582 1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoethyl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1172241

SMILES: CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1

InChI Key: InChIKey=VVKMHTWFAUCCOD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50321582   

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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50321582 (1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoeth...) Show SMILES CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1 Show InChI InChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50321582 (1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoeth...) Show SMILES CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1 Show InChI InChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PDK1				Bioorg Med Chem Lett 20: 4095-9 (2010) Article DOI: 10.1016/j.bmcl.2010.05.070 BindingDB Entry DOI: 10.7270/Q2NP25C5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50321582 (1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoeth...) Show SMILES CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1 Show InChI InChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 20: 4095-9 (2010) Article DOI: 10.1016/j.bmcl.2010.05.070 BindingDB Entry DOI: 10.7270/Q2NP25C5
					More data for this Ligand-Target Pair