BDBM50096235 CHEMBL3594173

SMILES: CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O

InChI Key: InChIKey=XDKIIJAVVREZPB-GBNGUXJXSA-N

Data: 3 KI

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 = 50096235   

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))	BDBM50096235 (CHEMBL3594173) Show SMILES CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O Show InChI InChI=1S/C34H47N5O6/c1-5-21(3)28-34(45)39-18-11-10-14-27(39)32(43)35-25(13-9-7-8-12-24(40)6-2)31(42)37-29(33(44)36-28)30(41)23-15-16-26-22(20-23)17-19-38(26)4/h15-17,19-21,25,27-29H,5-14,18H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21?,25-,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin)				ACS Med Chem Lett 6: 711-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50096235 (CHEMBL3594173) Show SMILES CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O Show InChI InChI=1S/C34H47N5O6/c1-5-21(3)28-34(45)39-18-11-10-14-27(39)32(43)35-25(13-9-7-8-12-24(40)6-2)31(42)37-29(33(44)36-28)30(41)23-15-16-26-22(20-23)17-19-38(26)4/h15-17,19-21,25,27-29H,5-14,18H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21?,25-,27+,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	893	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				ACS Med Chem Lett 6: 711-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50096235 (CHEMBL3594173) Show SMILES CN(Cc1cc(Nc2ccnc(n2)N(C)Cc2ccc3[nH]cnc3c2Cl)n[nH]1)C(C)=O Show InChI InChI=1S/C34H47N5O6/c1-5-21(3)28-34(45)39-18-11-10-14-27(39)32(43)35-25(13-9-7-8-12-24(40)6-2)31(42)37-29(33(44)36-28)30(41)23-15-16-26-22(20-23)17-19-38(26)4/h15-17,19-21,25,27-29H,5-14,18H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21?,25-,27+,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PAK4 (unknown origin)				ACS Med Chem Lett 6: 711-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00151 BindingDB Entry DOI: 10.7270/Q24J0GWT
					More data for this Ligand-Target Pair