BDBM50424538 CHEMBL2312140

SMILES: COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1

InChI Key: InChIKey=ZLZJYPLAARWUEF-UHFFFAOYSA-N

Data: 3 IC50  1 Kd  1 EC50

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 5 hits for monomerid = 50424538   

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
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50424538 (CHEMBL2312140) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP				Bioorg Med Chem Lett 23: 4072-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.059 BindingDB Entry DOI: 10.7270/Q25M674B
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50424538 (CHEMBL2312140) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.73E+3	n/a	n/a	n/a	n/a
Astex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay				Bioorg Med Chem Lett 23: 4072-5 (2013) Article DOI: 10.1016/j.bmcl.2013.05.059 BindingDB Entry DOI: 10.7270/Q25M674B
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK) (Homo sapiens (Human))	BDBM50424538 (CHEMBL2312140) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of TNIK (unknown origin) by ADP glo luminescent assay				Bioorg Med Chem Lett 23: 569-73 (2012) Article DOI: 10.1016/j.bmcl.2012.11.013 BindingDB Entry DOI: 10.7270/Q2G73G1R
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK) (Homo sapiens (Human))	BDBM50424538 (CHEMBL2312140) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Competitive binding affinity to TNIK (unknown origin) in presence of ATP				Bioorg Med Chem Lett 23: 569-73 (2012) Article DOI: 10.1016/j.bmcl.2012.11.013 BindingDB Entry DOI: 10.7270/Q2G73G1R
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK) (Homo sapiens (Human))	BDBM50424538 (CHEMBL2312140) Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay				Bioorg Med Chem Lett 23: 569-73 (2012) Article DOI: 10.1016/j.bmcl.2012.11.013 BindingDB Entry DOI: 10.7270/Q2G73G1R
					More data for this Ligand-Target Pair