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SMILES: Cc1nn(nc1C(N)=O)-c1ccccc1

InChI Key: InChIKey=IHPOVUXVIZRYAC-UHFFFAOYSA-N

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 10 hits for monomerid = 152260   

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
Menin (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of The University of Michigan; University of Virginia Patent Foundation US Patent					Assay Description Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...				US Patent US8993552 (2015) BindingDB Entry DOI: 10.7270/Q2V123HF
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.08E+6	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00099 BindingDB Entry DOI: 10.7270/Q23200WW
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...				J Med Chem 60: 695-709 (2017) Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	4.10E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00099 BindingDB Entry DOI: 10.7270/Q23200WW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00099 BindingDB Entry DOI: 10.7270/Q23200WW
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00099 BindingDB Entry DOI: 10.7270/Q23200WW
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM152260 (US8993552, 1F4 Compound 44) Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay				ACS Med Chem Lett 7: 1213-1218 (2016) Article DOI: 10.1021/acsmedchemlett.6b00154 BindingDB Entry DOI: 10.7270/Q2VM4F7M
					More data for this Ligand-Target Pair				3D Structure (crystal)