BDBM50296949 (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid::(Z)-5-(4-Chlorophenyl)-3-phenylpent-2-enoicAcid::(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid::CHEMBL539134::PS48

SMILES: OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=LLJYFDRQFPQGNY-QINSGFPZSA-N

Data: 1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50296949   

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))	BDBM50296949 ((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...) Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	7.4	0
Universit£tsklinikum Frankfurt					Assay Description The AlphaScreen Assay (Perkin Elmer) was performed according to the manufacturer's protocol in 384-well microtiter plates. Incubations were performe...				ACS Chem Biol 8: 2283-92 (2013) Article DOI: 10.1021/cb400452z BindingDB Entry DOI: 10.7270/Q2N878F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50296949 ((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...) Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a
Universit£tsklinikum Frankfurt Curated by ChEMBL					Assay Description Binding affinity to human PDPK1 Y288G/Q292A mutant expressed in insect cell system assessed as substrate phosphorylation by isothermal titration calo...				Nat Chem Biol 5: 758-64 (2009) BindingDB Entry DOI: 10.7270/Q2V98BXR
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50296949 ((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...) Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry				J Med Chem 52: 4683-93 (2009) Article DOI: 10.1021/jm9001499 BindingDB Entry DOI: 10.7270/Q2FB52ZC
					More data for this Ligand-Target Pair				3D Structure (crystal)