BDBM50354417 CHEMBL1836843

SMILES: Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1

InChI Key: InChIKey=FVHDMSVWNIOSFF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50354417   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50354417 (CHEMBL1836843) Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of AurB				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50354417 (CHEMBL1836843) Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BRK pretreated for 30 mins by microplate reader				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50354417 (CHEMBL1836843) Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	597	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM50354417 (CHEMBL1836843) Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair