BDBM50014843 2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propyl]-formyl-amino}-benzoylamino)-pentanedioic acid::CHEMBL152172

SMILES: Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1

InChI Key: InChIKey=KOOBXXUWGKUQCV-UHFFFAOYSA-N

Data: 4 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 = 50014843   

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
AICAR transformylase (Mus musculus)	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
AICAR transformylase (Mus musculus)	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against AICAR formyltransferase determined against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM50014843 (2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...) Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) against L cell				J Med Chem 33: 561-7 (1990) BindingDB Entry DOI: 10.7270/Q2XW4HS0
					More data for this Ligand-Target Pair