BDBM50321580 1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1171950

SMILES: NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12

InChI Key: InChIKey=OXICUMLYVMEXBW-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 = 50321580   

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))	BDBM50321580 (1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-p...) Show SMILES NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24)	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	36	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))	BDBM50321580 (1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-p...) Show SMILES NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(H,22,23,24)	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	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