Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Data curated solely by BindingDB

Found 55 hits of IC50 for enzyme = Thymidylate Synthase (TS) with UniProtKB: A1AF39

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	MMDB PC cid PC sid PDB	PubMed	n/a	n/a	18.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	CB3717 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	19.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	CB3717 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	19.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 1	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	40.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 4 ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	69.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	CB3717 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	72.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 48: 7215-22 (2005)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 1 ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrro...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	n/a	n/a	270.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 1 ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrro...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	n/a	n/a	270.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 4 ((2S)-2-{[4-({2-amino-6-ethyl-4-oxo-3H,4H,7H-pyrrol...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	540.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2f	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	1200.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2g	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	1400.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 8 (2-amino-5-[(4-chlorophenyl)methyl]-6-methyl-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	1500.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2c	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	1700.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2l	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	1800.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2h	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2m	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2j	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2200.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2e	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2300.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2k	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2300.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2b	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2500.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2i	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2900.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	Raltitrexed ((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS DrugBank MMDB PC cid PC sid PDB	B.MOAD PDB PubMed	n/a	n/a	5700.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 48: 7215-22 (2005)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 12 (2-amino-6-methyl-5-{[4-(trifluoromethoxy)phenyl]me...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	7500.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 9 (2-amino-5-[(4-bromophenyl)methyl]-6-methyl-3H,4H,5...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	7500.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 6 (2-amino-6-methyl-5-(pyridin-4-ylmethyl)-3H,4H,5H-p...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	12000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 3 (2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	n/a	n/a	13000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 10 (2-amino-6-methyl-5-[(4-nitrophenyl)methyl]-3H,4H,5...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	14000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 11 (2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H,4H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	15000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 14 (2-amino-5-{[3,5-bis(trifluoromethyl)phenyl]sulfany...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>20000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 14 (2-amino-5-[(3,5-dibromophenyl)methyl]-6-methyl-3H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	>20000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 9 (2-amino-5-[(4-bromophenyl)sulfanyl]-6-ethyl-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>22000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 12 (2-amino-5-[(3-bromophenyl)sulfanyl]-6-ethyl-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>23000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2d	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	>23000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 5 (2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-ethyl-3...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>23000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 6 (2-amino-6-ethyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	24000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 15 (2-amino-5-[(2,6-dimethylphenyl)sulfanyl]-6-ethyl-3...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>26000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 11 (2-amino-5-[(3-chlorophenyl)sulfanyl]-6-ethyl-3H,4H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>26000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 13 (2-amino-5-[(3,5-dichlorophenyl)methyl]-6-methyl-3H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	>26000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 15 (2-amino-5-[(3,4-dichlorophenyl)methyl]-6-methyl-3H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	27000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 7 (2-amino-6-ethyl-5-[(4-fluorophenyl)sulfanyl]-3H,4H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>27000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	thieno[2,3-d]pyrimidine deriv., 2a	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	28000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 52: 4892-902 (2009)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 17 (2-amino-6-ethyl-5-(naphthalen-2-ylsulfanyl)-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	30000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 16 (2-amino-6-ethyl-5-(naphthalen-1-ylsulfanyl)-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>30000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 8 (2-amino-5-[(4-chlorophenyl)sulfanyl]-6-ethyl-3H,4H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>31000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 7 (2-amino-5-[(4-fluorophenyl)methyl]-6-methyl-3H,4H,...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	31000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 10 (2-amino-6-ethyl-5-[(4-methoxyphenyl)sulfanyl]-3H,4...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>32000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 13 (2-amino-6-ethyl-5-[(3-methoxyphenyl)sulfanyl]-3H,4...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	>32000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 49: 1055-65 (2006)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[3,2-d]pyrimidine analogue, 5 (2-amino-5-benzyl-6-methyl-3H,4H,5H-pyrrolo[3,2-d]p...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	>39000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pyrrolo[2,3-d]pyrimidine analogue, 2 (2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	n/a	n/a	45000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 51: 68-76 (2008)
Thymidylate Synthase (TS) Escherichia coli	Pemetrexed ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	76000.0	n/a	n/a	7.4	30
Duquesne University					J Med Chem. 48: 7215-22 (2005)

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