BDBM50198892 3-AP::3-aminopyridine-2-carboxaldehyde thiosemicarbazone::TRIAPINE::Triapine::US10155732, Compound 3-AP

SMILES: NC(=S)N\N=C\c1ncccc1N

InChI Key: InChIKey=XMYKNCNAZKMVQN-NYYWCZLTSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50198892   

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
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198892 (3-AP | 3-aminopyridine-2-carboxaldehyde thiosemica...) Show SMILES NC(=S)N\N=C\c1ncccc1N Show InChI InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase subunit M2 (Homo sapiens (Human))	BDBM50198892 (3-AP | 3-aminopyridine-2-carboxaldehyde thiosemica...) Show SMILES NC(=S)N\N=C\c1ncccc1N Show InChI InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of human RRM2 expressed in Escherichia coli BL21-codon plus(DE3) using [14C]-ADP as substrate after 3 mins by liquid scintillation countin...				J Med Chem 61: 666-680 (2018) BindingDB Entry DOI: 10.7270/Q2W098CB
					More data for this Ligand-Target Pair
RRM1/RRM2 holoenzyme (Homo sapiens (Human))	BDBM50198892 (3-AP | 3-aminopyridine-2-carboxaldehyde thiosemica...) Show SMILES NC(=S)N\N=C\c1ncccc1N Show InChI InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope US Patent					Assay Description A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR in...				US Patent US10155732 (2018) BindingDB Entry DOI: 10.7270/Q22V2J6X
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198892 (3-AP | 3-aminopyridine-2-carboxaldehyde thiosemica...) Show SMILES NC(=S)N\N=C\c1ncccc1N Show InChI InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair