BDBM31830 quinazoline-pyrazolourea hybrid compound, 3d

SMILES: Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C

InChI Key: InChIKey=KYFLIYLKGJJPKB-UHFFFAOYSA-N

Data: 1 IC50  1 Kd  1 Other

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 = 31830   

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
Src Mutant (T338M) (Gallus gallus (Chicken))	BDBM31830 (quinazoline-pyrazolourea hybrid compound, 3d) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C Show InChI InChI=1S/C29H28N8O3/c1-18-7-5-10-21(13-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-9-6-8-19(14-20)32-27-23-15-22(37(39)40)11-12-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM31830 (quinazoline-pyrazolourea hybrid compound, 3d) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C Show InChI InChI=1S/C29H28N8O3/c1-18-7-5-10-21(13-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-9-6-8-19(14-20)32-27-23-15-22(37(39)40)11-12-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	256	n/a	n/a	n/a	7.0	23
Chemical Genomics Centre of the Max Planck Society					Assay Description IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinyla...				J Med Chem 52: 3915-26 (2009) Article DOI: 10.1021/jm9002928 BindingDB Entry DOI: 10.7270/Q2VT1QD3
					More data for this Ligand-Target Pair