Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'schiller' and Initial = 'ser'   

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
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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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	336	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))	BDBM50526379 (CHEMBL4442092) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H22N2O3/c24-19(18-8-6-17(7-9-18)16-4-2-1-3-5-16)22-12-14-23(15-13-22)20(25)21(26)10-11-21/h1-9,26H,10-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	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))	BDBM50457140 (CHEMBL4211739) Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1cnn(c1)C1COC1 |r| Show InChI InChI=1S/C21H24N4O3/c1-13-9-23(21(27)15-3-4-15)20-7-16(5-6-19(20)25(13)14(2)26)17-8-22-24(10-17)18-11-28-12-18/h5-8,10,13,15,18H,3-4,9,11-12H2,1-2H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457132 (CHEMBL4217059) Show SMILES C[C@H]1CN(C(=O)c2ccco2)c2cc(ccc2N1C(C)=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H20N4O3/c1-13-11-23(20(26)19-5-4-8-27-19)18-9-15(16-10-21-22(3)12-16)6-7-17(18)24(13)14(2)25/h4-10,12-13H,11H2,1-3H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457129 (CHEMBL4208315) Show SMILES C[C@H]1CN(C(=O)C2CC2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C26H30N4O3/c1-17-16-29(26(33)21-7-8-21)24-15-22(9-10-23(24)30(17)18(2)31)19-3-5-20(6-4-19)25(32)28-13-11-27-12-14-28/h3-6,9-10,15,17,21,27H,7-8,11-14,16H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457133 (CHEMBL4206854) Show SMILES CC(C)n1cc(cn1)-c1ccc2N([C@@H](C)CN(C(=O)C3CC3)c2c1)C(C)=O |r| Show InChI InChI=1S/C21H26N4O2/c1-13(2)24-12-18(10-22-24)17-7-8-19-20(9-17)23(21(27)16-5-6-16)11-14(3)25(19)15(4)26/h7-10,12-14,16H,5-6,11H2,1-4H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	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
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	460	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of BRD4 in human MV411 cells assessed as reduction in MYC mRNA expression				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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457139 (CHEMBL4209209) Show SMILES COC(=O)N1[C@@H](C)CN(C(=O)c2ccco2)c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C23H22N2O6S/c1-15-14-24(22(26)21-5-4-12-31-21)20-13-17(8-11-19(20)25(15)23(27)30-2)16-6-9-18(10-7-16)32(3,28)29/h4-13,15H,14H2,1-3H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457138 (CHEMBL4214127) Show SMILES C[C@H]1CN(C(=O)c2ccco2)c2cc(ccc2N1C(=O)C1CC1)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-16-15-26(25(29)23-4-3-13-32-23)22-14-19(17-7-10-20(11-8-17)33(2,30)31)9-12-21(22)27(16)24(28)18-5-6-18/h3-4,7-14,16,18H,5-6,15H2,1-2H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457135 (CHEMBL4203897) Show SMILES CNC(=O)c1cccc(c1)-c1ccc2N([C@@H](C)CN(C(=O)c3ccco3)c2c1)C(C)=O |r| Show InChI InChI=1S/C24H23N3O4/c1-15-14-26(24(30)22-8-5-11-31-22)21-13-18(9-10-20(21)27(15)16(2)28)17-6-4-7-19(12-17)23(29)25-3/h4-13,15H,14H2,1-3H3,(H,25,29)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	790	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				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM50526405 (CHEMBL4439986) Show SMILES O=C([C@H]1CCCO1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-3,5-6,8-11,20H,4,7,12-16H2/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	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))	BDBM50526384 (CHEMBL4581195) Show SMILES O=C(C1CCCO1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-3,5-6,8-11,20H,4,7,12-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	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))	BDBM50457144 (CHEMBL4212637) Show SMILES CCC(=O)N1[C@@H](C)CN(C(=O)c2ccco2)c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H24N2O5S/c1-4-23(27)26-16(2)15-25(24(28)22-6-5-13-31-22)21-14-18(9-12-20(21)26)17-7-10-19(11-8-17)32(3,29)30/h5-14,16H,4,15H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50457143 (CHEMBL4207530) Show SMILES C[C@H]1CN(C(=O)c2ccco2)c2cc(ccc2N1C(C)=O)-c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O3/c1-15-14-23(22(26)21-9-6-12-27-21)20-13-18(17-7-4-3-5-8-17)10-11-19(20)24(15)16(2)25/h3-13,15H,14H2,1-2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
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

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