BDBM50306577 (S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)-pentyl]-thiophene-2-carbonyl}-amino)-pentanedioicAcid::CHEMBL605580

SMILES: Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=NDMAMOPJTVHRPP-AWEZNQCLSA-N

Data: 2 KI  2 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 = 50306577   

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
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50306577 ((S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6S/c22-21-25-17-13(18(29)26-21)10-11(23-17)4-2-1-3-5-12-6-8-15(33-12)19(30)24-14(20(31)32)7-9-16(27)28/h6,8,10,14H,1-5,7,9H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [3H]MTX from human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot				J Med Chem 53: 1306-18 (2010) Article DOI: 10.1021/jm9015729 BindingDB Entry DOI: 10.7270/Q23N24B0
					More data for this Ligand-Target Pair
Proton-coupled folate transporter (Homo sapiens (Human))	BDBM50306577 ((S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6S/c22-21-25-17-13(18(29)26-21)10-11(23-17)4-2-1-3-5-12-6-8-15(33-12)19(30)24-14(20(31)32)7-9-16(27)28/h6,8,10,14H,1-5,7,9H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of [3H]MTX from human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot				J Med Chem 53: 1306-18 (2010) Article DOI: 10.1021/jm9015729 BindingDB Entry DOI: 10.7270/Q23N24B0
					More data for this Ligand-Target Pair
GAR transformylase (Mus musculus)	BDBM50306577 ((S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6S/c22-21-25-17-13(18(29)26-21)10-11(23-17)4-2-1-3-5-12-6-8-15(33-12)19(30)24-14(20(31)32)7-9-16(27)28/h6,8,10,14H,1-5,7,9H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry				J Med Chem 53: 1306-18 (2010) Article DOI: 10.1021/jm9015729 BindingDB Entry DOI: 10.7270/Q23N24B0
					More data for this Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM50306577 ((S)-2-({5-[5-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...) Show SMILES Nc1nc2[nH]c(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C21H25N5O6S/c22-21-25-17-13(18(29)26-21)10-11(23-17)4-2-1-3-5-12-6-8-15(33-12)19(30)24-14(20(31)32)7-9-16(27)28/h6,8,10,14H,1-5,7,9H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of GARFtase in human KB cells assessed as [14C]glycine incorporation in to [14C]FGAR in folate free RPMI medium with 2 nM LCV by in-situas...				J Med Chem 53: 1306-18 (2010) Article DOI: 10.1021/jm9015729 BindingDB Entry DOI: 10.7270/Q23N24B0
					More data for this Ligand-Target Pair