Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'vandergeten' and Initial = 'mc'   

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
Lanosterol synthase (Rattus norvegicus)	BDBM50108877 ((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529561 (CHEMBL4462175) Show SMILES Cc1cccc(C)c1CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C17H20N2O2/c1-12-4-3-5-13(2)15(12)10-18-6-7-19-11-17(21)16(20)8-14(19)9-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529577 (CHEMBL4470211) Show SMILES Oc1cn2CCN(Cc3c(Cl)cccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14Cl2N2O2/c16-12-2-1-3-13(17)11(12)8-18-4-5-19-9-15(21)14(20)6-10(19)7-18/h1-3,6,9,21H,4-5,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529578 (CHEMBL4461693) Show SMILES Oc1cn2CCN(Cc3ccc(Cl)cc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14Cl2N2O2/c16-11-2-1-10(13(17)5-11)7-18-3-4-19-9-15(21)14(20)6-12(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529585 (CHEMBL4458006) Show SMILES Cc1ccc(CN2CCn3cc(O)c(=O)cc3C2)c(C)c1 Show InChI InChI=1S/C17H20N2O2/c1-12-3-4-14(13(2)7-12)9-18-5-6-19-11-17(21)16(20)8-15(19)10-18/h3-4,7-8,11,21H,5-6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt 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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529576 (CHEMBL4531460) Show SMILES Oc1cn2CCN(Cc3c(F)cccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14ClFN2O2/c16-12-2-1-3-13(17)11(12)8-18-4-5-19-9-15(21)14(20)6-10(19)7-18/h1-3,6,9,21H,4-5,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529575 (CHEMBL4449462) Show SMILES Oc1cn2CCN(Cc3c(F)cccc3F)Cc2cc1=O Show InChI InChI=1S/C15H14F2N2O2/c16-12-2-1-3-13(17)11(12)8-18-4-5-19-9-15(21)14(20)6-10(19)7-18/h1-3,6,9,21H,4-5,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529574 (CHEMBL4447751) Show SMILES Oc1cn2CCN(Cc3ccc(F)cc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14ClFN2O2/c16-13-5-11(17)2-1-10(13)7-18-3-4-19-9-15(21)14(20)6-12(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529571 (CHEMBL4453736) Show SMILES Oc1cn2CCN(Cc3ccccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-11(13)8-17-5-6-18-10-15(20)14(19)7-12(18)9-17/h1-4,7,10,20H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529572 (CHEMBL4583818) Show SMILES Cc1cccc(CN2CCn3cc(O)c(=O)cc3C2)c1C Show InChI InChI=1S/C17H20N2O2/c1-12-4-3-5-14(13(12)2)9-18-6-7-19-11-17(21)16(20)8-15(19)10-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529570 (CHEMBL4476127) Show SMILES Cc1ccccc1CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C16H18N2O2/c1-12-4-2-3-5-13(12)9-17-6-7-18-11-16(20)15(19)8-14(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529573 (CHEMBL4523002) Show SMILES Oc1cn2CCN(Cc3ccccc3F)Cc2cc1=O Show InChI InChI=1S/C15H15FN2O2/c16-13-4-2-1-3-11(13)8-17-5-6-18-10-15(20)14(19)7-12(18)9-17/h1-4,7,10,20H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529580 (CHEMBL4556206) Show SMILES Oc1cn2CCN(Cc3ccccc3C(F)(F)F)Cc2cc1=O Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)8-20-5-6-21-10-15(23)14(22)7-12(21)9-20/h1-4,7,10,23H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529560 (CHEMBL4577912) Show SMILES Cc1ccc(C)c(CN2CCn3cc(O)c(=O)cc3C2)c1 Show InChI InChI=1S/C17H20N2O2/c1-12-3-4-13(2)14(7-12)9-18-5-6-19-11-17(21)16(20)8-15(19)10-18/h3-4,7-8,11,21H,5-6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529562 (CHEMBL4587566) Show SMILES Oc1cn2CCN(Cc3ccccc3C#N)Cc2cc1=O Show InChI InChI=1S/C16H15N3O2/c17-8-12-3-1-2-4-13(12)9-18-5-6-19-11-16(21)15(20)7-14(19)10-18/h1-4,7,11,21H,5-6,9-10H2	PDB KEGG 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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529565 (CHEMBL4438313) Show SMILES Oc1cn2CCN(Cc3ccccc3)Cc2cc1=O Show InChI InChI=1S/C15H16N2O2/c18-14-8-13-10-16(6-7-17(13)11-15(14)19)9-12-4-2-1-3-5-12/h1-5,8,11,19H,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529569 (CHEMBL4538981) Show SMILES COc1ccccc1CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C16H18N2O3/c1-21-16-5-3-2-4-12(16)9-17-6-7-18-11-15(20)14(19)8-13(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529584 (CHEMBL4518323) Show SMILES COc1ccc(CN2CCn3cc(O)c(=O)cc3C2)cc1 Show InChI InChI=1S/C16H18N2O3/c1-21-14-4-2-12(3-5-14)9-17-6-7-18-11-16(20)15(19)8-13(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529581 (CHEMBL4442598) Show SMILES Oc1cn2CCN(Cc3ccc(cc3)C(F)(F)F)Cc2cc1=O Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)12-3-1-11(2-4-12)8-20-5-6-21-10-15(23)14(22)7-13(21)9-20/h1-4,7,10,23H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529582 (CHEMBL4551380) Show SMILES CCC(CC)CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C14H22N2O2/c1-3-11(4-2)8-15-5-6-16-10-14(18)13(17)7-12(16)9-15/h7,10-11,18H,3-6,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529564 (CHEMBL4446921) Show SMILES CC(C)CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C12H18N2O2/c1-9(2)6-13-3-4-14-8-12(16)11(15)5-10(14)7-13/h5,8-9,16H,3-4,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529568 (CHEMBL4566961) Show SMILES Oc1cn2CCN(Cc3ccc(cc3)C#N)Cc2cc1=O Show InChI InChI=1S/C16H15N3O2/c17-8-12-1-3-13(4-2-12)9-18-5-6-19-11-16(21)15(20)7-14(19)10-18/h1-4,7,11,21H,5-6,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529579 (CHEMBL4454788) Show SMILES Oc1cn2CCN(CCc3ccccc3)Cc2cc1=O Show InChI InChI=1S/C16H18N2O2/c19-15-10-14-11-17(8-9-18(14)12-16(15)20)7-6-13-4-2-1-3-5-13/h1-5,10,12,20H,6-9,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529565 (CHEMBL4438313) Show SMILES Oc1cn2CCN(Cc3ccccc3)Cc2cc1=O Show InChI InChI=1S/C15H16N2O2/c18-14-8-13-10-16(6-7-17(13)11-15(14)19)9-12-4-2-1-3-5-12/h1-5,8,11,19H,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529576 (CHEMBL4531460) Show SMILES Oc1cn2CCN(Cc3c(F)cccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14ClFN2O2/c16-12-2-1-3-13(17)11(12)8-18-4-5-19-9-15(21)14(20)6-10(19)7-18/h1-3,6,9,21H,4-5,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529571 (CHEMBL4453736) Show SMILES Oc1cn2CCN(Cc3ccccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-11(13)8-17-5-6-18-10-15(20)14(19)7-12(18)9-17/h1-4,7,10,20H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529561 (CHEMBL4462175) Show SMILES Cc1cccc(C)c1CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C17H20N2O2/c1-12-4-3-5-13(2)15(12)10-18-6-7-19-11-17(21)16(20)8-14(19)9-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529578 (CHEMBL4461693) Show SMILES Oc1cn2CCN(Cc3ccc(Cl)cc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14Cl2N2O2/c16-11-2-1-10(13(17)5-11)7-18-3-4-19-9-15(21)14(20)6-12(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529566 (CHEMBL4516338) Show SMILES Oc1cn2CCN(Cc3cccnc3)Cc2cc1=O Show InChI InChI=1S/C14H15N3O2/c18-13-6-12-9-16(4-5-17(12)10-14(13)19)8-11-2-1-3-15-7-11/h1-3,6-7,10,19H,4-5,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529563 (CHEMBL4448560) Show SMILES Oc1cn2CCNCc2cc1=O Show InChI InChI=1S/C8H10N2O2/c11-7-3-6-4-9-1-2-10(6)5-8(7)12/h3,5,9,12H,1-2,4H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50529578 (CHEMBL4461693) Show SMILES Oc1cn2CCN(Cc3ccc(Cl)cc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14Cl2N2O2/c16-11-2-1-10(13(17)5-11)7-18-3-4-19-9-15(21)14(20)6-12(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2	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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50529571 (CHEMBL4453736) Show SMILES Oc1cn2CCN(Cc3ccccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-11(13)8-17-5-6-18-10-15(20)14(19)7-12(18)9-17/h1-4,7,10,20H,5-6,8-9H2	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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of MAO-B (unknown origin)				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529583 (CHEMBL4526054) Show SMILES Oc1cn2CCN(Cc2cc1=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3/c16-11-3-1-10(2-4-11)15(21)18-6-5-17-9-14(20)13(19)7-12(17)8-18/h1-4,7,9,20H,5-6,8H2	PDB KEGG 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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50529571 (CHEMBL4453736) Show SMILES Oc1cn2CCN(Cc3ccccc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H15ClN2O2/c16-13-4-2-1-3-11(13)8-17-5-6-18-10-15(20)14(19)7-12(18)9-17/h1-4,7,10,20H,5-6,8-9H2	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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin)				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529567 (CHEMBL4571097) Show SMILES Oc1cn2CCN(Cc2cc1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H14N2O4S/c17-13-8-11-9-16(7-6-15(11)10-14(13)18)21(19,20)12-4-2-1-3-5-12/h1-5,8,10,18H,6-7,9H2	PDB KEGG 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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50529578 (CHEMBL4461693) Show SMILES Oc1cn2CCN(Cc3ccc(Cl)cc3Cl)Cc2cc1=O Show InChI InChI=1S/C15H14Cl2N2O2/c16-11-2-1-10(13(17)5-11)7-18-3-4-19-9-15(21)14(20)6-12(19)8-18/h1-2,5-6,9,21H,3-4,7-8H2	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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin)				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair