Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'kassai' and Initial = 'm'   

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
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549700 (CHEMBL4740126) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OC2CC2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KMO (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549707 (CHEMBL4781856) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549704 (CHEMBL4764931) Show SMILES CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549705 (CHEMBL4756311) Show SMILES CN1CCc2cccc(c12)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50266003 (CHEMBL4091152) Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KMO (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549706 (CHEMBL4744083) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549706 (CHEMBL4744083) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549706 (CHEMBL4744083) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549704 (CHEMBL4764931) Show SMILES CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549714 (CHEMBL4762572) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549707 (CHEMBL4781856) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccccc1N1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576346 (CHEMBL4858480) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cc(F)ccc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549700 (CHEMBL4740126) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OC2CC2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549715 (CHEMBL4760680) Show SMILES CN(C)c1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576347 (CHEMBL4849479) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1c(F)cccc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549711 (CHEMBL4764672) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc2cccnc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549700 (CHEMBL4740126) Show SMILES OC(=O)c1cc(ncn1)-c1ccc(Cl)c(OC2CC2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576345 (CHEMBL4853796) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1ccc(F)cc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576356 (CHEMBL4854493) Show SMILES Fc1ccc(-c2ccc(NS(=O)(=O)CC3CCOCC3)nn2)c(c1)N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576355 (CHEMBL4872767) Show SMILES Fc1ccc(-c2ccc(NS(=O)(=O)CC3CCCO3)nn2)c(c1)N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549705 (CHEMBL4756311) Show SMILES CN1CCc2cccc(c12)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576357 (CHEMBL4850268) Show SMILES Fc1ccc(-c2ccc(NS(=O)(=O)CC3CCCOC3)nn2)c(c1)N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576344 (CHEMBL4851794) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc(F)c1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576350 (CHEMBL4877327) Show SMILES CC(C)CS(=O)(=O)Nc1ccc(nn1)-c1ccc(F)cc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576351 (CHEMBL4866526) Show SMILES Fc1ccc(-c2ccc(NS(=O)(=O)CC3CCCC3)nn2)c(c1)N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549708 (CHEMBL4776854) Show SMILES CCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549712 (CHEMBL4790147) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc2ccn(C)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549719 (CHEMBL4762842) Show SMILES CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50072084 (CHEMBL3407930) Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H15N3O6S2/c1-25-14-7-6-13(9-15(14)26-2)28(23,24)19-17-18-10-16(27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576358 (CHEMBL4869777) Show SMILES Fc1ccc(-c2ccc(NS(=O)(=O)CC3CCCCO3)nn2)c(c1)N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549701 (CHEMBL4745247) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549709 (CHEMBL4743950) Show SMILES COc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549701 (CHEMBL4745247) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KMO (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576349 (CHEMBL4873105) Show SMILES CCCS(=O)(=O)Nc1ccc(nn1)-c1ccc(F)cc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576352 (CHEMBL4858343) Show SMILES Fc1ccc(-c2ccc(NS(=O)(=O)CC(F)(F)F)nn2)c(c1)N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50126147 (CHEMBL3629571) Show SMILES OC(=O)C1CC1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KMO (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549710 (CHEMBL4745015) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)-c1cccc2ccncc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576354 (CHEMBL4846635) Show SMILES COCCCS(=O)(=O)Nc1ccc(nn1)-c1ccc(F)cc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50261324 (CHEMBL4098822) Show SMILES Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1 Show InChI InChI=1S/C18H13ClF2N4O/c19-12-5-11(6-14(21)7-12)18(26)24-3-4-25-15(10-24)8-17(23-25)16-2-1-13(20)9-22-16/h1-2,5-9H,3-4,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...				Bioorg Med Chem Lett 26: 3866-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.019 BindingDB Entry DOI: 10.7270/Q2TM7FMC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50261324 (CHEMBL4098822) Show SMILES Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1 Show InChI InChI=1S/C18H13ClF2N4O/c19-12-5-11(6-14(21)7-12)18(26)24-3-4-25-15(10-24)8-17(23-25)16-2-1-13(20)9-22-16/h1-2,5-9H,3-4,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...				Bioorg Med Chem Lett 26: 3866-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.019 BindingDB Entry DOI: 10.7270/Q2TM7FMC
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50549701 (CHEMBL4745247) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ncc(s1)-c1cccc(c1)[N+]([O-])=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549716 (CHEMBL4749459) Show SMILES CN(C)c1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576353 (CHEMBL4862539) Show SMILES COCCS(=O)(=O)Nc1ccc(nn1)-c1ccc(F)cc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549713 (CHEMBL4790669) Show SMILES CN1CCN(CC1)c1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549721 (CHEMBL4791546) Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Homo sapiens (Human))	BDBM50576348 (CHEMBL4850797) Show SMILES CCS(=O)(=O)Nc1ccc(nn1)-c1ccc(F)cc1N1CCCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 min...				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128115 BindingDB Entry DOI: 10.7270/Q2XW4PN8
					More data for this Ligand-Target Pair
Kynurenine 3-monooxygenase (Mus musculus)	BDBM50549718 (CHEMBL4784999) Show SMILES CN(C)c1ccccc1S(=O)(=O)Nc1ccc(nn1)-c1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127753 BindingDB Entry DOI: 10.7270/Q2XK8K55
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50533084 (CHEMBL4447634) Show SMILES O=C(N1CCn2nc(cc2C1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H17N3O/c23-19(16-9-5-2-6-10-16)21-11-12-22-17(14-21)13-18(20-22)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...				Bioorg Med Chem Lett 26: 3866-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.019 BindingDB Entry DOI: 10.7270/Q2TM7FMC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50533084 (CHEMBL4447634) Show SMILES O=C(N1CCn2nc(cc2C1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C19H17N3O/c23-19(16-9-5-2-6-10-16)21-11-12-22-17(14-21)13-18(20-22)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...				Bioorg Med Chem Lett 26: 3866-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.019 BindingDB Entry DOI: 10.7270/Q2TM7FMC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50533092 (CHEMBL4578292) Show SMILES Cc1cccc(c1)C(=O)N1CCn2nc(cc2C1)-c1ccc(F)cn1 Show InChI InChI=1S/C19H17FN4O/c1-13-3-2-4-14(9-13)19(25)23-7-8-24-16(12-23)10-18(22-24)17-6-5-15(20)11-21-17/h2-6,9-11H,7-8,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilizati...				Bioorg Med Chem Lett 26: 3866-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.019 BindingDB Entry DOI: 10.7270/Q2TM7FMC
					More data for this Ligand-Target Pair

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