BindingDB PrimarySearch

BDBM50230828 5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide::CHEMBL257167::[5-(p-fluorophenyl)-2-ureido]thiophene-3-carboxamide

SMILES: NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1

InChI Key: InChIKey=SAYGKHKXGCPTLX-UHFFFAOYSA-N

Data: 1 KI 5 IC50 1 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50230828
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human JAK2				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK-beta				J Med Chem 51: 7898-914 (2008) Article DOI: 10.1021/jm8011036 BindingDB Entry DOI: 10.7270/Q2WS8T4C
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Aberdeen Curated by ChEMBL					Assay Description Inhibition of IKK beta at 300 uM by K-ELISA				J Nat Prod 71: 106-11 (2008) Article DOI: 10.1021/np070290y BindingDB Entry DOI: 10.7270/Q2B858Z7
University of Aberdeen Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin) by TR-FRET assay				Bioorg Med Chem 17: 2759-66 (2009) Article DOI: 10.1016/j.bmc.2009.02.041 BindingDB Entry DOI: 10.7270/Q2MW2H1K
Institute of Science and Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay				Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H
Weill Cornell Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK-beta				Bioorg Med Chem Lett 21: 2255-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.107 BindingDB Entry DOI: 10.7270/Q2GF0VS3
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair