Molecular Structure for 18763

Molecular Structure for 18763

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A156 1,8-naphthalein derivative, 10::4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one::A15

Data: 6 KI

PDB links: 1 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits in this search
Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Thymidylate Synthase (TS) Homo sapiens (human)	A156 (1,8-naphthalein derivative, 10 \| 4,4-bis(3-chloro-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	30000	-25.382	n/a	n/a	n/a	7.4	20
UNIMORE			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Med Chem. 49: 5958-68 (2006)
Dihydrofolate Reductase (DHFR) Homo sapiens (human)	A156 (1,8-naphthalein derivative, 10 \| 4,4-bis(3-chloro-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	5200.0	-30.159	n/a	n/a	n/a	7	25
UNIMORE			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Med Chem. 49: 5958-68 (2006)
Thymidylate Synthase (TS) Lactobacillus casei	A156 (1,8-naphthalein derivative, 10 \| 4,4-bis(3-chloro-...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	700.00	-34.541	n/a	n/a	n/a	7.4	20
UNIMORE			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	J Med Chem. 49: 5958-68 (2006)
Thymidylate Synthase (TS) Escherichia coli	A156 (1,8-naphthalein derivative, 10 \| 4,4-bis(3-chloro-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	600.00	-34.916	n/a	n/a	n/a	7.4	20
UNIMORE			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Med Chem. 49: 5958-68 (2006)
Thymidylate Synthase (TS) Cryptococcus neoformans	A156 (1,8-naphthalein derivative, 10 \| 4,4-bis(3-chloro-...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	35000	-25.006	n/a	n/a	n/a	7.4	20
UNIMORE		B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Med Chem. 49: 5958-68 (2006)
Thymidylate Synthase (TS) Escherichia coli (strain K12)	A156 (1,8-naphthalein derivative, 10 \| 4,4-bis(3-chloro-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	700.00	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento Scienze Farmaceutiche Curated by ChEMBL			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Med Chem. 42: 2112-24 (1999)