Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fatty acid synthase' and Ligand = 'BDBM269265'   

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))	BDBM269265 ((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...) Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5| Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	7.5	25
Janssen Pharmaceutica NV US Patent					Assay Description In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate ...				US Patent US9718813 (2017) BindingDB Entry DOI: 10.7270/Q2QV3PJB
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM269265 ((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...) Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5| Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate ...				US Patent US10413545 (2019) BindingDB Entry DOI: 10.7270/Q2H134CB
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM269265 ((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...) Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5| Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...				Bioorg Med Chem Lett 28: 2159-2164 (2018) Article DOI: 10.1016/j.bmcl.2018.05.014 BindingDB Entry DOI: 10.7270/Q2FB55FW
					More data for this Ligand-Target Pair