Compile Data Set for Download or QSAR

Found 754 hits with Last Name = 'fernandes' and Initial = 'c'   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453020 (CHEMBL4209203) Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Non-competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504743 (CHEMBL4464272) Show SMILES O=C(N1CCCCC1)C(=C\C=C\c1ccc2OCOc2c1)\C#N Show InChI InChI=1S/C18H18N2O3/c19-12-15(18(21)20-9-2-1-3-10-20)6-4-5-14-7-8-16-17(11-14)23-13-22-16/h4-8,11H,1-3,9-10,13H2/b5-4+,15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramin...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577843 (CHEMBL4853460) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc2ccccc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of n...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504739 (CHEMBL4585553) Show SMILES O=C(OCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N Show InChI InChI=1S/C20H15NO4/c21-12-17(20(22)23-13-16-5-2-1-3-6-16)8-4-7-15-9-10-18-19(11-15)25-14-24-18/h1-11H,13-14H2/b7-4+,17-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramin...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577843 (CHEMBL4853460) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc2ccccc2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50531967 (Pugnac) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/OC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OGA (unknown origin) using pNP-O-GlcNAc as substrate assessed as inhibition constant incubated for 30 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504740 (CHEMBL4514572) Show SMILES O=C(OCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C19H16O4/c20-19(21-13-16-7-2-1-3-8-16)9-5-4-6-15-10-11-17-18(12-15)23-14-22-17/h1-12H,13-14H2/b6-4+,9-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramin...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577842 (CHEMBL4866781) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of n...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577838 (CHEMBL4874886) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577836 (CHEMBL4861823) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HexA/HexB (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577840 (CHEMBL4864246) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577837 (CHEMBL4875285) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(C)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577838 (CHEMBL4874886) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(cc1)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577842 (CHEMBL4866781) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577836 (CHEMBL4861823) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit alpha (Bos taurus)	BDBM50577836 (CHEMBL4861823) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577839 (CHEMBL4851727) Show SMILES COc1ccc(NC(=O)N\N=C2/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577837 (CHEMBL4875285) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(C)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577839 (CHEMBL4851727) Show SMILES COc1ccc(NC(=O)N\N=C2/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577840 (CHEMBL4864246) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577840 (CHEMBL4864246) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of n...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577844 (CHEMBL402605) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/O Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OGA (unknown origin) using pNP-O-GlcNAc as substrate assessed as inhibition constant incubated for 30 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50577841 (CHEMBL4845911) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=S)Nc1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring libe...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Beta-hexosaminidase (Bos taurus)	BDBM50577841 (CHEMBL4845911) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=S)Nc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nit...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113649 BindingDB Entry DOI: 10.7270/Q2PV6Q63
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101929 (3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139186 (4-allyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacyclo...) Show SMILES C=CCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C26H25N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h2,4-7,10-11,13,18H,1,3,8-9,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101929 (3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50130373 (4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...) Show SMILES CCCC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)[C@](C)(N)c2cncn2C)c1 Show InChI InChI=1S/C30H37N5O2/c1-5-6-14-30(15-7-8-16-34(3)28(30)36)24-10-9-11-25(17-24)37-26-18-23(13-12-22(26)19-31)29(2,32)27-20-33-21-35(27)4/h9-13,17-18,20-21H,5-8,14-16,32H2,1-4H3/t29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50115916 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES FC(F)(F)Oc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)36-23-4-2-1-3-21(23)17-35-24(34)32-11-9-31(10-12-32)16-22-14-30-18-33(22)15-20-7-5-19(13-29)6-8-20/h1-8,14,18H,9-12,15-17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM50112379 (1-(3-Chloro-phenyl)-4-{2-[3-(2-methoxy-4'-trifluor...) Show SMILES COc1cc(Cn2cncc2CCN2CCN(C(=O)C2)c2cccc(Cl)c2)ccc1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H28ClF3N4O2/c1-40-28-15-21(5-10-27(28)22-6-8-23(9-7-22)30(32,33)34)18-37-20-35-17-26(37)11-12-36-13-14-38(29(39)19-36)25-4-2-3-24(31)16-25/h2-10,15-17,20H,11-14,18-19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...				Bioorg Med Chem Lett 12: 1269-73 (2002) BindingDB Entry DOI: 10.7270/Q2T72GSB
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50130374 (4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...) Show SMILES CN1CCCC[C@@](CCC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O Show InChI InChI=1S/C31H37N5O2/c1-30(33,28-20-34-21-36(28)3)24-12-11-23(19-32)27(18-24)38-26-8-6-7-25(17-26)31(15-13-22-9-10-22)14-4-5-16-35(2)29(31)37/h6-8,11-12,17-18,20-22H,4-5,9-10,13-16,33H2,1-3H3/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50130381 (4-[Amino-(3-methyl-3H-imidazol-4-yl)-methyl]-2-[3-...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(N)c2cncn2C)c1 Show InChI InChI=1S/C27H31N5O2/c1-4-27(12-5-6-13-31(2)26(27)33)21-8-7-9-22(15-21)34-24-14-19(10-11-20(24)16-28)25(29)23-17-30-18-32(23)3/h7-11,14-15,17-18,25H,4-6,12-13,29H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50130365 (4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...) Show SMILES CN1CCCC[C@@](CCC(F)(F)F)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O Show InChI InChI=1S/C29H32F3N5O2/c1-27(34,25-18-35-19-37(25)3)21-10-9-20(17-33)24(16-21)39-23-8-6-7-22(15-23)28(12-13-29(30,31)32)11-4-5-14-36(2)26(28)38/h6-10,15-16,18-19H,4-5,11-14,34H2,1-3H3/t27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM50112387 (3-oxo-19-oxa-2,5,10,12-tetraazahexacyclo[18.6.2.22...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC2)ccc4C#N)cc13 Show InChI InChI=1S/C27H23N5O2/c28-14-21-5-4-19-12-26(21)34-23-7-6-20-2-1-3-25(24(20)13-23)32-11-10-30(17-27(32)33)9-8-22-15-29-18-31(22)16-19/h1-7,12-13,15,18H,8-11,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]-GGPP into a biotinylated peptide corresponding to the C-ter...				Bioorg Med Chem Lett 12: 1269-73 (2002) BindingDB Entry DOI: 10.7270/Q2T72GSB
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM50112387 (3-oxo-19-oxa-2,5,10,12-tetraazahexacyclo[18.6.2.22...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC2)ccc4C#N)cc13 Show InChI InChI=1S/C27H23N5O2/c28-14-21-5-4-19-12-26(21)34-23-7-6-20-2-1-3-25(24(20)13-23)32-11-10-30(17-27(32)33)9-8-22-15-29-18-31(22)16-19/h1-7,12-13,15,18H,8-11,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.				Bioorg Med Chem Lett 12: 1269-73 (2002) BindingDB Entry DOI: 10.7270/Q2T72GSB
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139202 (4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...) Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50101929 (3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...) Show SMILES O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13 Show InChI InChI=1S/C26H21N5O2/c27-12-20-5-4-18-10-25(20)33-22-7-6-19-2-1-3-24(23(19)11-22)31-9-8-29(16-26(31)32)15-21-13-28-17-30(21)14-18/h1-7,10-11,13,17H,8-9,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139196 (4-chloro-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...) Show SMILES Clc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C23H20ClN5O2/c24-21-4-3-20-8-18(21)12-28-6-5-27(14-23(28)30)13-19-10-26-15-29(19)11-16-1-2-17(9-25)22(7-16)31-20/h1-4,7-8,10,15H,5-6,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50130372 (4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-...) Show SMILES CN1CCCC[C@@](CC2CC2)(c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c3cncn3C)c2)C1=O Show InChI InChI=1S/C30H35N5O2/c1-29(32,27-19-33-20-35(27)3)23-12-11-22(18-31)26(16-23)37-25-8-6-7-24(15-25)30(17-21-9-10-21)13-4-5-14-34(2)28(30)36/h6-8,11-12,15-16,19-21H,4-5,9-10,13-14,17,32H2,1-3H3/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139190 (4-propyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...) Show SMILES CCCc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C26H27N5O2/c1-2-3-20-6-7-24-11-22(20)15-30-9-8-29(17-26(30)32)16-23-13-28-18-31(23)14-19-4-5-21(12-27)25(10-19)33-24/h4-7,10-11,13,18H,2-3,8-9,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50115919 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES COCc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C26H29N5O3/c1-33-18-23-4-2-3-5-24(23)19-34-26(32)30-12-10-29(11-13-30)17-25-15-28-20-31(25)16-22-8-6-21(14-27)7-9-22/h2-9,15,20H,10-13,16-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50115911 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES CCOc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50139202 (4-methyl-23-oxo-8-oxa-1,15,17,21-tetraazapentacycl...) Show SMILES Cc1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N Show InChI InChI=1S/C24H23N5O2/c1-17-2-5-22-9-20(17)13-28-7-6-27(15-24(28)30)14-21-11-26-16-29(21)12-18-3-4-19(10-25)23(8-18)31-22/h2-5,8-9,11,16H,6-7,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.				Bioorg Med Chem Lett 14: 639-43 (2004) BindingDB Entry DOI: 10.7270/Q2WM1CTK
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50115927 (4-[3-(4-Cyano-benzyl)-2-methyl-3H-imidazol-4-ylmet...) Show SMILES Cc1ncc(CN2CCN(CC2)C(=O)OCc2ccccc2OC(F)(F)F)n1Cc1ccc(cc1)C#N Show InChI InChI=1S/C26H26F3N5O3/c1-19-31-15-23(34(19)16-21-8-6-20(14-30)7-9-21)17-32-10-12-33(13-11-32)25(35)36-18-22-4-2-3-5-24(22)37-26(27,28)29/h2-9,15H,10-13,16-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Farnesyl protein transferase radiolabel [1-3H] incorporation				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50115927 (4-[3-(4-Cyano-benzyl)-2-methyl-3H-imidazol-4-ylmet...) Show SMILES Cc1ncc(CN2CCN(CC2)C(=O)OCc2ccccc2OC(F)(F)F)n1Cc1ccc(cc1)C#N Show InChI InChI=1S/C26H26F3N5O3/c1-19-31-15-23(34(19)16-21-8-6-20(14-30)7-9-21)17-32-10-12-33(13-11-32)25(35)36-18-22-4-2-3-5-24(22)37-26(27,28)29/h2-9,15H,10-13,16-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of radiolabeled farnesyl transferase inhibitor				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50115916 (4-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-pipe...) Show SMILES FC(F)(F)Oc1ccccc1COC(=O)N1CCN(Cc2cncn2Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)36-23-4-2-1-3-21(23)17-35-24(34)32-11-9-31(10-12-32)16-22-14-30-18-33(22)15-20-7-5-19(13-29)6-8-20/h1-8,14,18H,9-12,15-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitor of Farnesyl protein transferase(FTPase) required to reduce radiolabel [1-3H] incorporation by 50%				Bioorg Med Chem Lett 12: 2027-30 (2002) BindingDB Entry DOI: 10.7270/Q2TQ60VS
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50130367 ((RR)-4-[1-Amino-1-(3-methyl-3H-imidazol-4-yl)-ethy...) Show SMILES CCC1(CCCCN(C)C1=O)c1cccc(Oc2cc(ccc2C#N)C(C)(N)c2cncn2C)c1 Show InChI InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.				J Med Chem 46: 2973-84 (2003) Article DOI: 10.1021/jm020587n BindingDB Entry DOI: 10.7270/Q26Q1Z0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.407	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)

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