BDBM50411415 CHEMBL232599

SMILES: O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N

InChI Key: InChIKey=PRZGSWGFNRYBIP-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50411415   

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 8 (Homo sapiens (Human))	BDBM50411415 (CHEMBL232599) Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant full length JNK1alpha1				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50411415 (CHEMBL232599) Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50411415 (CHEMBL232599) Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human truncated JNK3				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50411415 (CHEMBL232599) Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of mitogen-activated protein kinase p38alpha				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50411415 (CHEMBL232599) Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant full length ERK2				Bioorg Med Chem Lett 17: 1296-301 (2007) Article DOI: 10.1016/j.bmcl.2006.12.003 BindingDB Entry DOI: 10.7270/Q2TB1840
					More data for this Ligand-Target Pair