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BDBM50042373 2-[4-(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quinazoline-7-sulfonylamino)-benzoylamino]-pentanedioic acid::CHEMBL117335

SMILES: Cc1nc2ccc3c(cccc3c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=DRCAJGUBGOLYTB-IBGZPJMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042373   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Thymidylate synthase


(Homo sapiens (Human))		BDBM50042373
PNG
(2-[4-(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quinazoli...)
Show SMILES Cc1nc2ccc3c(cccc3c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H22N4O8S/c1-13-26-18-10-9-16-17(22(18)24(33)27-13)3-2-4-20(16)38(36,37)29-15-7-5-14(6-8-15)23(32)28-19(25(34)35)11-12-21(30)31/h2-10,19,29H,11-12H2,1H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t19-/m0/s1
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PubMed
 7.37E+3n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells

J Med Chem 36: 3464-71 (1993)


BindingDB Entry DOI: 10.7270/Q2K0739T
More data for this
Ligand-Target Pair