Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'hille' and Initial = 'r'   

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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine xanthine oxidase				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50497925 (CHEBI:70981 | CHEMBL3314206) Show SMILES Nc1nc2ncc(C=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidoreductase by spectrophotometry				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50423777 (OXYPURINOL | Oxipurinol) Show SMILES O=c1[nH]c2n[nH]cc2c(=O)[nH]1 Show InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50140241 (Allopurinol | Aloral | Aluline 100 | Aluline 300 |...) Show SMILES O=c1[nH]cnc2[nH]ncc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human xanthine oxidase				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Rhodobacter capsulatus)	BDBM50497925 (CHEBI:70981 | CHEMBL3314206) Show SMILES Nc1nc2ncc(C=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Rhodobacter capsulatus xanthine dehydrogenase				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) at 37 degC at ph 7..8				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50423777 (OXYPURINOL | Oxipurinol) Show SMILES O=c1[nH]c2n[nH]cc2c(=O)[nH]1 Show InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of oxidized form of human xanthine oxidase				J Nat Prod 77: 1693-9 (2014) Article DOI: 10.1021/np500320g BindingDB Entry DOI: 10.7270/Q2QJ7M9S
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase				J Nat Prod 72: 725-31 (2009) Article DOI: 10.1021/np8007123 BindingDB Entry DOI: 10.7270/Q26D5T1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase				J Nat Prod 72: 725-31 (2009) Article DOI: 10.1021/np8007123 BindingDB Entry DOI: 10.7270/Q26D5T1W
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-322] (Homo sapiens (Human))	BDBM50166435 (5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...) Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.40E+3	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.0	n/a
University of Missouri					Assay Description Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...				Biochemistry 56: 2051-2060 (2017) Article DOI: 10.1021/acs.biochem.7b00151 BindingDB Entry DOI: 10.7270/Q2HX1BJ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-322] (Homo sapiens (Human))	BDBM223197 (2-Bromo-N-[3'-(1,1-dioxido-4-oxo-1,2,5-thiadia...) Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c1-11-2-3-13(8-15(11)21-10-17(23)20-26(21,24)25)12-4-6-14(7-5-12)19-16(22)9-18/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+4	n/a	5.40E+4	n/a	n/a	n/a	n/a	7.0	n/a
University of Missouri					Assay Description Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...				Biochemistry 56: 2051-2060 (2017) Article DOI: 10.1021/acs.biochem.7b00151 BindingDB Entry DOI: 10.7270/Q2HX1BJ8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-322] (Homo sapiens (Human))	BDBM223198 (N-[3'-(1,1-Dioxido-4-oxo-1,2,5-thiadiazolidin-...) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(C)c(c1)N1CC(=O)NS1(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-11-3-4-14(13-5-7-15(8-6-13)18-12(2)21)9-16(11)20-10-17(22)19-25(20,23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+4	n/a	6.40E+4	n/a	n/a	n/a	n/a	7.0	n/a
University of Missouri					Assay Description Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...				Biochemistry 56: 2051-2060 (2017) Article DOI: 10.1021/acs.biochem.7b00151 BindingDB Entry DOI: 10.7270/Q2HX1BJ8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-322] (Homo sapiens (Human))	BDBM223199 (5-(4-Methyl[1,1'-biphenyl]-3-yl)-1,2,5-thiadia...) Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1 Show InChI InChI=1S/C15H14N2O3S/c1-11-7-8-13(12-5-3-2-4-6-12)9-14(11)17-10-15(18)16-21(17,19)20/h2-9H,10H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.85E+4	n/a	7.70E+4	n/a	n/a	n/a	n/a	7.0	n/a
University of Missouri					Assay Description Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...				Biochemistry 56: 2051-2060 (2017) Article DOI: 10.1021/acs.biochem.7b00151 BindingDB Entry DOI: 10.7270/Q2HX1BJ8
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526389 (CHEMBL4450081) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526390 (CHEMBL4462401) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2scnc2c1 Show InChI InChI=1S/C22H21N3O3S/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526400 (CHEMBL4553437) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2cnccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)8-9-24)18-3-1-17(2-4-18)19-5-6-21-16-25-10-7-20(21)15-19/h1-7,10,15-16,30H,8-9,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526397 (CHEMBL4440024) Show SMILES Cn1ccc2cc(ccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526389 (CHEMBL4450081) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)9-10-24)18-7-5-17(6-8-18)20-15-19-3-1-2-4-21(19)25-16-20/h1-8,15-16,30H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526400 (CHEMBL4553437) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2cnccc2c1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-11-13-27(14-12-26)23(29)24(30)8-9-24)18-3-1-17(2-4-18)19-5-6-21-16-25-10-7-20(21)15-19/h1-7,10,15-16,30H,8-9,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526391 (CHEMBL4529391) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H23N3O3/c27-21(25-11-13-26(14-12-25)22(28)23(29)8-9-23)17-3-1-16(2-4-17)18-5-6-20-19(15-18)7-10-24-20/h1-7,10,15,24,29H,8-9,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526391 (CHEMBL4529391) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H23N3O3/c27-21(25-11-13-26(14-12-25)22(28)23(29)8-9-23)17-3-1-16(2-4-17)18-5-6-20-19(15-18)7-10-24-20/h1-7,10,15,24,29H,8-9,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526397 (CHEMBL4440024) Show SMILES Cn1ccc2cc(ccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-11-8-20-16-19(6-7-21(20)25)17-2-4-18(5-3-17)22(28)26-12-14-27(15-13-26)23(29)24(30)9-10-24/h2-8,11,16,30H,9-10,12-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526383 (CHEMBL4575847) Show SMILES Cn1ncc2ccc(cc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C23H24N4O3/c1-25-20-14-18(6-7-19(20)15-24-25)16-2-4-17(5-3-16)21(28)26-10-12-27(13-11-26)22(29)23(30)8-9-23/h2-7,14-15,30H,8-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526390 (CHEMBL4462401) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2scnc2c1 Show InChI InChI=1S/C22H21N3O3S/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526388 (CHEMBL4518496) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-13-15-27(16-14-26)23(29)24(30)11-12-24)19-7-5-18(6-8-19)21-10-9-17-3-1-2-4-20(17)25-21/h1-10,30H,11-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526382 (CHEMBL4466578) Show SMILES Cn1c(cc2ccccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-20-5-3-2-4-19(20)16-21(25)17-6-8-18(9-7-17)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h2-9,16,30H,10-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526387 (CHEMBL4449818) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM50526399 (CHEMBL4570684) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C22H21N3O3S/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457130 (CHEMBL4203456) Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1cnn(c1)C1CNC1 |r| Show InChI InChI=1S/C21H25N5O2/c1-13-11-24(21(28)15-3-4-15)20-7-16(5-6-19(20)26(13)14(2)27)17-8-23-25(12-17)18-9-22-10-18/h5-8,12-13,15,18,22H,3-4,9-11H2,1-2H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
FORMA Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (...				ACS Med Chem Lett 8: 847-852 (2017) Article DOI: 10.1021/acsmedchemlett.7b00191 BindingDB Entry DOI: 10.7270/Q2WQ06DS
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526401 (CHEMBL4445590) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2cc(F)ccc2o1 Show InChI InChI=1S/C22H20FN3O4/c23-16-5-6-18-17(13-16)24-19(30-18)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526399 (CHEMBL4570684) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C22H21N3O3S/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526386 (CHEMBL4575998) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C22H20ClN3O4/c23-16-5-6-18-17(13-16)24-19(30-18)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526382 (CHEMBL4466578) Show SMILES Cn1c(cc2ccccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1 Show InChI InChI=1S/C24H25N3O3/c1-25-20-5-3-2-4-19(20)16-21(25)17-6-8-18(9-7-17)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h2-9,16,30H,10-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526381 (CHEMBL4565279) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccc(F)cc2o1 Show InChI InChI=1S/C22H20FN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526385 (CHEMBL4440104) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccc(Cl)cc2o1 Show InChI InChI=1S/C22H20ClN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457141 (CHEMBL4215658) Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)N1CCS(=O)(=O)CC1 |r| Show InChI InChI=1S/C25H29N3O4S/c1-17-16-27(25(30)20-3-4-20)24-15-21(7-10-23(24)28(17)18(2)29)19-5-8-22(9-6-19)26-11-13-33(31,32)14-12-26/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (...				ACS Med Chem Lett 8: 847-852 (2017) Article DOI: 10.1021/acsmedchemlett.7b00191 BindingDB Entry DOI: 10.7270/Q2WQ06DS
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526388 (CHEMBL4518496) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C24H23N3O3/c28-22(26-13-15-27(16-14-26)23(29)24(30)11-12-24)19-7-5-18(6-8-19)21-10-9-17-3-1-2-4-20(17)25-21/h1-10,30H,11-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526387 (CHEMBL4449818) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM50526385 (CHEMBL4440104) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccc(Cl)cc2o1 Show InChI InChI=1S/C22H20ClN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526403 (CHEMBL4457855) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(Cl)cc1F Show InChI InChI=1S/C21H20ClFN2O3/c22-16-5-6-17(18(23)13-16)14-1-3-15(4-2-14)19(26)24-9-11-25(12-10-24)20(27)21(28)7-8-21/h1-6,13,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526398 (CHEMBL4454062) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)ccc1F Show InChI InChI=1S/C21H20ClFN2O3/c22-16-5-6-18(23)17(13-16)14-1-3-15(4-2-14)19(26)24-9-11-25(12-10-24)20(27)21(28)7-8-21/h1-6,13,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526386 (CHEMBL4575998) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C22H20ClN3O4/c23-16-5-6-18-17(13-16)24-19(30-18)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526404 (CHEMBL4548362) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ocnc2c1 Show InChI InChI=1S/C22H21N3O4/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526398 (CHEMBL4454062) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)ccc1F Show InChI InChI=1S/C21H20ClFN2O3/c22-16-5-6-18(23)17(13-16)14-1-3-15(4-2-14)19(26)24-9-11-25(12-10-24)20(27)21(28)7-8-21/h1-6,13,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526401 (CHEMBL4445590) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2cc(F)ccc2o1 Show InChI InChI=1S/C22H20FN3O4/c23-16-5-6-18-17(13-16)24-19(30-18)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526381 (CHEMBL4565279) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nc2ccc(F)cc2o1 Show InChI InChI=1S/C22H20FN3O4/c23-16-5-6-17-18(13-16)30-19(24-17)14-1-3-15(4-2-14)20(27)25-9-11-26(12-10-25)21(28)22(29)7-8-22/h1-6,13,29H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526404 (CHEMBL4548362) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ocnc2c1 Show InChI InChI=1S/C22H21N3O4/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457145 (CHEMBL4211224) Show SMILES CC(C)OC(=O)N1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N2O5S/c1-14(2)29-22(26)23-13-15(3)24(16(4)25)20-11-8-18(12-21(20)23)17-6-9-19(10-7-17)30(5,27)28/h6-12,14-15H,13H2,1-5H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (...				ACS Med Chem Lett 8: 847-852 (2017) Article DOI: 10.1021/acsmedchemlett.7b00191 BindingDB Entry DOI: 10.7270/Q2WQ06DS
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526393 (CHEMBL4439223) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(F)cc1Cl Show InChI InChI=1S/C21H20ClFN2O3/c22-18-13-16(23)5-6-17(18)14-1-3-15(4-2-14)19(26)24-9-11-25(12-10-24)20(27)21(28)7-8-21/h1-6,13,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012 BindingDB Entry DOI: 10.7270/Q2CJ8HXW
					More data for this Ligand-Target Pair

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