BDBM14192 3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzoic acid::pyrrolopyrimidine 15

SMILES: OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1

InChI Key: InChIKey=DWOLUZVOAOPIIX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 14192   

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 Aurora-A (Mus musculus (mouse))	BDBM14192 (3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...) Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1 Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM14192 (3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...) Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1 Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells				Bioorg Med Chem 19: 907-16 (2011) Article DOI: 10.1016/j.bmc.2010.11.064 BindingDB Entry DOI: 10.7270/Q2V40VGC
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM14192 (3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}a...) Show SMILES OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1 Show InChI InChI=1S/C19H20N4O2/c24-18(25)13-5-4-6-15(11-13)21-19-20-12-14-9-10-23(17(14)22-19)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8H2,(H,24,25)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 795 of Rb by purified recombinant CDK4. The phosphorylation of s...				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair