BDBM50259638 3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-phenylethyl]amino}cyclobut-3-ene-1,2-dione::CHEMBL481248

SMILES: C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=IHKOUBVQGUHCQJ-CYBMUJFWSA-N

Data: 12 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 12 hits for monomerid = 50259638   

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
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of IKKalpha (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB NCI pathway 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ROCK1 (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1 (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of RSK1 (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	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	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Casein kinase I (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB NCI 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	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CK1-gamma1 (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB NCI pathway 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of FYN (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB NCI pathway 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of p38alpha (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50259638 (3-{[2-(3-Thienyl)pyridin-4-yl]amino}-4-{[(1R)-1-ph...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O2S/c1-13(14-5-3-2-4-6-14)23-18-19(21(26)20(18)25)24-16-7-9-22-17(11-16)15-8-10-27-12-15/h2-13,23H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of SRC (unknown origin)				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair