BDBM105193 4‐(1H‐imidazol‐1‐yl)phenol (Compound 1)::4-(1H-imidazol-1-yl)phenol

SMILES: Oc1ccc(cc1)-n1ccnc1

InChI Key: InChIKey=CYKCUAPYWQDIKR-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 4 PDB IDs match 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 = 105193   

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
H1N1 Endonuclease (2009 H1N1 Influenza)	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
H1N1 Endonuclease (2009 H1N1 Influenza)	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...				J Med Chem 63: 621-637 (2020) Article DOI: 10.1021/acs.jmedchem.9b01582
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as substrate preincubated for 20 mins followed by substrate addition by fl...				J Med Chem 60: 5209-5215 (2017) Article DOI: 10.1021/acs.jmedchem.6b01224 BindingDB Entry DOI: 10.7270/Q2319ZCT
					More data for this Ligand-Target Pair