BDBM50112355 CHEMBL3609326

SMILES: CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O

InChI Key: InChIKey=DHKFOIHIUYFSOF-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50112355   

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
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	779	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length PAK4 (unknown origin) by Z'-LYTE assay				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair				3D Structure (crystal)
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length PAK1 (unknown origin) by Z'-LYTE assay				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
p21-Activated kinase 2 (PAK2) (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length PAK2 (unknown origin) by Z'-LYTE assay				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
p21-Activated kinase 3 (PAK3) (Homo sapiens (Human))	BDBM50112355 (CHEMBL3609326) Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length PAK3 (unknown origin) by Z'-LYTE assay				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair