BDBM50243332 1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-((3-(hydroxymethyl)phenyl)carbamoyl)thiophen-2-yl)urea::CHEMBL452020

SMILES: CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccc(CO)c2)c(NC(N)=O)s1

InChI Key: InChIKey=KDAJOEXXPZUAOV-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 = 50243332   

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
Cyclin-dependent kinase 2-associated protein 1 (Homo sapiens (Human))	BDBM50243332 (1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-((3-(hyd...) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccc(CO)c2)c(NC(N)=O)s1 Show InChI InChI=1S/C25H30N4O4S/c1-3-29(4-2)12-13-33-20-10-8-18(9-11-20)22-15-21(24(34-22)28-25(26)32)23(31)27-19-7-5-6-17(14-19)16-30/h5-11,14-15,30H,3-4,12-13,16H2,1-2H3,(H,27,31)(H3,26,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Cdk1				Bioorg Med Chem Lett 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243332 (1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-((3-(hyd...) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccc(CO)c2)c(NC(N)=O)s1 Show InChI InChI=1S/C25H30N4O4S/c1-3-29(4-2)12-13-33-20-10-8-18(9-11-20)22-15-21(24(34-22)28-25(26)32)23(31)27-19-7-5-6-17(14-19)16-30/h5-11,14-15,30H,3-4,12-13,16H2,1-2H3,(H,27,31)(H3,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)