BDBM50155565 CHEMBL185775::Piperidine-1-carboxylic acid [4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-amide

SMILES: Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1

InChI Key: InChIKey=JEQAFPBGTZWZSQ-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 = 50155565   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50155565 (CHEMBL185775 | Piperidine-1-carboxylic acid [4-met...) Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C22H24N6O/c1-16-7-8-18(25-22(29)28-12-3-2-4-13-28)14-20(16)27-21-24-11-9-19(26-21)17-6-5-10-23-15-17/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,29)(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50155565 (CHEMBL185775 | Piperidine-1-carboxylic acid [4-met...) Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C22H24N6O/c1-16-7-8-18(25-22(29)28-12-3-2-4-13-28)14-20(16)27-21-24-11-9-19(26-21)17-6-5-10-23-15-17/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,29)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The First People's Hospital of Hangzhou Curated by ChEMBL					Assay Description Inhibition of BCR-ABL kinase (unknown origin)				Bioorg Med Chem Lett 23: 2442-50 (2013) Article DOI: 10.1016/j.bmcl.2013.01.113 BindingDB Entry DOI: 10.7270/Q2ZG6TMD
					More data for this Ligand-Target Pair
Bcr/Abl fusion protein (Homo sapiens (Human))	BDBM50155565 (CHEMBL185775 | Piperidine-1-carboxylic acid [4-met...) Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C22H24N6O/c1-16-7-8-18(25-22(29)28-12-3-2-4-13-28)14-20(16)27-21-24-11-9-19(26-21)17-6-5-10-23-15-17/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,29)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair