Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50014811   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580117 (CHEMBL5076176) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3cc4c(Cl)cccc4[nH]3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580113 (CHEMBL5090659) Show SMILES Cc1cc(Nc2nc3n(C)c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)c3n2C)nc(CCC(O)=O)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580116 (CHEMBL5093943) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580121 (CHEMBL5085594) Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580115 (CHEMBL5084848) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580112 (CHEMBL5077748) Show SMILES Cn1c(N[C@H]2CC[C@H](O)CC2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r,wU:4.3,wD:7.7,(14.78,-9.97,;14.31,-8.5,;15.22,-7.26,;16.76,-7.27,;17.54,-5.94,;16.78,-4.61,;17.56,-3.28,;19.1,-3.29,;19.89,-1.97,;19.86,-4.63,;19.08,-5.95,;14.32,-6,;12.85,-6.47,;11.52,-5.7,;11.52,-4.16,;10.18,-6.47,;8.84,-5.7,;10.18,-8.01,;8.85,-8.78,;7.52,-8.01,;7.51,-6.46,;6.18,-5.7,;4.85,-6.47,;3.52,-5.7,;4.85,-8.01,;3.51,-8.78,;6.18,-8.78,;11.52,-8.78,;11.52,-10.32,;12.84,-8.02,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580120 (CHEMBL5077920) Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580115 (CHEMBL5084848) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580116 (CHEMBL5093943) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580117 (CHEMBL5076176) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3cc4c(Cl)cccc4[nH]3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580118 (CHEMBL5094059) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580119 (CHEMBL5082640) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580120 (CHEMBL5077920) Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580121 (CHEMBL5085594) Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580114 (CHEMBL5075801) Show SMILES Cn1c(Nc2ccc(cc2)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580113 (CHEMBL5090659) Show SMILES Cc1cc(Nc2nc3n(C)c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)c3n2C)nc(CCC(O)=O)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580112 (CHEMBL5077748) Show SMILES Cn1c(N[C@H]2CC[C@H](O)CC2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r,wU:4.3,wD:7.7,(14.78,-9.97,;14.31,-8.5,;15.22,-7.26,;16.76,-7.27,;17.54,-5.94,;16.78,-4.61,;17.56,-3.28,;19.1,-3.29,;19.89,-1.97,;19.86,-4.63,;19.08,-5.95,;14.32,-6,;12.85,-6.47,;11.52,-5.7,;11.52,-4.16,;10.18,-6.47,;8.84,-5.7,;10.18,-8.01,;8.85,-8.78,;7.52,-8.01,;7.51,-6.46,;6.18,-5.7,;4.85,-6.47,;3.52,-5.7,;4.85,-8.01,;3.51,-8.78,;6.18,-8.78,;11.52,-8.78,;11.52,-10.32,;12.84,-8.02,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens)	BDBM50580122 (CHEMBL5074925) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580119 (CHEMBL5082640) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580118 (CHEMBL5094059) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580114 (CHEMBL5075801) Show SMILES Cn1c(Nc2ccc(cc2)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580122 (CHEMBL5074925) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair