BDBM50264756 CHEMBL485286::N-(4-methyl-3-(3-(piperidin-4-yl)benzo[d]isoxazol-6-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1

InChI Key: InChIKey=DMTJDVSGJMJVRQ-UHFFFAOYSA-N

Data: 1 KI  10 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 11 hits for monomerid = 50264756   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of fluorescent ATP competitive ligand from p38alpha				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of cFMS				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of PLK1				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of SGK1				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of MEK1 by cRaf/mek/Erk cascade assay				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM50264756 (CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1 Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of ErbB4				Bioorg Med Chem Lett 18: 5285-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.051 BindingDB Entry DOI: 10.7270/Q28K7B0R
					More data for this Ligand-Target Pair