Compile Data Set for Download or QSAR

Found 375 hits with Last Name = 'sakaitani' and Initial = 'm'   

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
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50002369 ((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...) Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004899 ((1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanec...) Show SMILES N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50013055 (2-aminopentanedioateglutamate | L-Glutamate | glut...) Show SMILES NC(CCC([O-])=O)C([O-])=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50013055 (2-aminopentanedioateglutamate | L-Glutamate | glut...) Show SMILES NC(CCC([O-])=O)C([O-])=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50013055 (2-aminopentanedioateglutamate | L-Glutamate | glut...) Show SMILES NC(CCC([O-])=O)C([O-])=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50002343 (2-Methylamino-succinic acid | CHEMBL275325 | NMDA) Show SMILES CNC(CC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50240399 ((2R,3R,4S)-3-(carboxymethyl)-4-isopropylpyrrolidin...) Show SMILES CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50240399 ((2R,3R,4S)-3-(carboxymethyl)-4-isopropylpyrrolidin...) Show SMILES CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50093753 ((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...) Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM85210 (DL-TBzOAsp) Show SMILES N[C@@H]([C@H](OC(=O)c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C11H11NO6/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8H,12H2,(H,13,14)(H,15,16)/t7-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM85209 (DL-THA) Show SMILES N[C@@H]([C@H](O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM85211 (t-2,4-PDC | t-PDC) Show SMILES OC(=O)[C@H]1CN[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM85211 (t-2,4-PDC | t-PDC) Show SMILES OC(=O)[C@H]1CN[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM85211 (t-2,4-PDC | t-PDC) Show SMILES OC(=O)[C@H]1CN[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM85209 (DL-THA) Show SMILES N[C@@H]([C@H](O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM85210 (DL-TBzOAsp) Show SMILES N[C@@H]([C@H](OC(=O)c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C11H11NO6/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8H,12H2,(H,13,14)(H,15,16)/t7-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50093753 ((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...) Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM85209 (DL-THA) Show SMILES N[C@@H]([C@H](O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM85210 (DL-TBzOAsp) Show SMILES N[C@@H]([C@H](OC(=O)c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C11H11NO6/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8H,12H2,(H,13,14)(H,15,16)/t7-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50240399 ((2R,3R,4S)-3-(carboxymethyl)-4-isopropylpyrrolidin...) Show SMILES CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50093753 ((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...) Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Institute for Bioorganic Research Curated by PDSP Ki Database									Mol Pharmacol 53: 195-201 (1998) Article DOI: 10.1124/mol.53.2.195 BindingDB Entry DOI: 10.7270/Q2RF5SJH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479835 (CHEMBL510873) Show SMILES Cn1cncc1[C@](N)(c1cc2cc(cc(-c3cccc(c3)C#N)c2o1)C#N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C28H18N6O/c1-34-17-33-16-25(34)28(32,23-7-5-18(13-29)6-8-23)26-12-22-10-20(15-31)11-24(27(22)35-26)21-4-2-3-19(9-21)14-30/h2-12,16-17H,32H2,1H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479863 (CHEMBL521743) Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)[C@@](N)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O |r| Show InChI InChI=1S/C27H21N5O4/c1-31-16-30-15-24(31)27(29,20-8-6-17(14-28)7-9-20)25-12-19-10-21(32(33)34)13-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16H,29H2,1-2H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479859 (CHEMBL508937) Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)C(N)=O Show InChI InChI=1S/C28H22N4O4/c1-32-16-31-15-24(32)28(34,21-8-6-17(14-29)7-9-21)25-13-19-10-20(27(30)33)12-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16,34H,1-2H3,(H2,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479847 (CHEMBL514300) Show SMILES COc1cccc(c1)-c1cc(CO)cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C28H23N3O4/c1-31-17-30-15-25(31)28(33,22-8-6-18(14-29)7-9-22)26-13-21-10-19(16-32)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,15,17,32-33H,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479856 (CHEMBL454405) Show SMILES Cn1cncc1[C@](N)(c1cc2cc(cc(-c3cccc(F)c3)c2o1)C#N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H18FN5O/c1-33-16-32-15-24(33)27(31,21-7-5-17(13-29)6-8-21)25-12-20-9-18(14-30)10-23(26(20)34-25)19-3-2-4-22(28)11-19/h2-12,15-16H,31H2,1H3/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479848 (CHEMBL489318) Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)[C@@](N)(c1cncn1C)c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C28H21N5O2/c1-33-17-32-16-25(33)28(31,22-8-6-18(14-29)7-9-22)26-13-21-10-19(15-30)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,16-17H,31H2,1-2H3/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479849 (CHEMBL489121) Show SMILES Cn1cncc1[C@](N)(c1cc2cc(cc(-c3ccccc3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H19N5O3/c1-30-16-29-15-23(30)26(28,20-9-7-17(14-27)8-10-20)24-12-19-11-21(31(32)33)13-22(25(19)34-24)18-5-3-2-4-6-18/h2-13,15-16H,28H2,1H3/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50096797 (CHEMBL2370665 | macrocyclic lipopeptidolactone der...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCN)CCN)NC(=O)[C@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C75H126N16O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-49-36-56(101)83-59(42(5)92)69(107)80-41(4)65(103)82-51(34-46-23-25-47(96)26-24-46)66(104)85-58(40(2)3)73(111)91-39-48(97)35-52(91)67(105)86-61(44(7)94)71(109)87-62(45(8)95)74(112)90-31-27-53(98)64(90)72(110)88-63(54(99)37-55(78)100)68(106)79-38-57(102)84-60(43(6)93)70(108)81-50(75(113)114-49)22-20-30-89(32-28-76)33-29-77/h23-26,40-45,48-54,58-64,92-99H,9-22,27-39,76-77H2,1-8H3,(H2,78,100)(H,79,106)(H,80,107)(H,81,108)(H,82,103)(H,83,101)(H,84,102)(H,85,104)(H,86,105)(H,87,109)(H,88,110)/t41-,42-,43-,44-,45-,48-,49-,50+,51+,52+,53+,54-,58+,59+,60-,61+,62+,63+,64+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans				Bioorg Med Chem Lett 11: 395-8 (2001) BindingDB Entry DOI: 10.7270/Q28051W2
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479853 (CHEMBL511113) Show SMILES COc1cccc(c1)-c1cc(C=O)cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C28H21N3O4/c1-31-17-30-15-25(31)28(33,22-8-6-18(14-29)7-9-22)26-13-21-10-19(16-32)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,15-17,33H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479850 (CHEMBL475149) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3)c2o1)C#N)c1ccc(cc1)C#N Show InChI InChI=1S/C27H18N4O2/c1-31-17-30-16-24(31)27(32,22-9-7-18(14-28)8-10-22)25-13-21-11-19(15-29)12-23(26(21)33-25)20-5-3-2-4-6-20/h2-13,16-17,32H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479864 (CHEMBL510021) Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)C(=O)NN1CCOCC1 Show InChI InChI=1S/C32H29N5O5/c1-36-20-34-19-28(36)32(39,25-8-6-21(18-33)7-9-25)29-17-23-14-24(31(38)35-37-10-12-41-13-11-37)16-27(30(23)42-29)22-4-3-5-26(15-22)40-2/h3-9,14-17,19-20,39H,10-13H2,1-2H3,(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479860 (CHEMBL473148) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3cccc(c3)C#N)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-7-5-17(13-28)6-8-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-4-2-3-18(9-19)14-29/h2-12,15-16,33H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479851 (CHEMBL462021) Show SMILES COC(=O)c1cc(-c2cccc(OC)c2)c2oc(cc2c1)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C29H23N3O5/c1-32-17-31-16-25(32)29(34,22-9-7-18(15-30)8-10-22)26-14-20-11-21(28(33)36-3)13-24(27(20)37-26)19-5-4-6-23(12-19)35-2/h4-14,16-17,34H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479857 (CHEMBL472956) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3F)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,18-8-6-16(13-28)7-9-18)24-11-17-10-19(31(33)34)12-21(25(17)35-24)20-4-2-3-5-22(20)27/h2-12,14-15,32H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479858 (CHEMBL453395) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccc(cc3)C#N)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-8-4-18(14-29)5-9-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-6-2-17(13-28)3-7-19/h2-12,15-16,33H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479836 (CHEMBL511072) Show SMILES COc1ccc(cc1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O Show InChI InChI=1S/C27H20N4O5/c1-30-16-29-15-24(30)27(32,20-7-3-17(14-28)4-8-20)25-12-19-11-21(31(33)34)13-23(26(19)36-25)18-5-9-22(35-2)10-6-18/h3-13,15-16,32H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50096795 (CHEMBL2370654 | Macrocyclic lipopeptidolactone der...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@@H](CCCNC(=O)C(N)CCCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C76H126N16O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(102)85-59(41(5)93)70(109)82-40(4)65(104)84-51(33-45-25-27-46(97)28-26-45)67(106)87-58(39(2)3)74(113)92-38-47(98)34-52(92)68(107)88-61(43(7)95)72(111)89-62(44(8)96)75(114)91-32-29-53(99)64(91)73(112)90-63(54(100)36-55(79)101)69(108)81-37-57(103)86-60(42(6)94)71(110)83-50(76(115)116-48)24-21-31-80-66(105)49(78)23-20-30-77/h25-28,39-44,47-54,58-64,93-100H,9-24,29-38,77-78H2,1-8H3,(H2,79,101)(H,80,105)(H,81,108)(H,82,109)(H,83,110)(H,84,104)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,111)(H,90,112)/t40-,41-,42-,43-,44-,47-,48-,49?,50-,51+,52+,53+,54-,58+,59+,60+,61+,62+,63+,64+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans				Bioorg Med Chem Lett 11: 395-8 (2001) BindingDB Entry DOI: 10.7270/Q28051W2
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50494481 (CHEMBL3092178) Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...				ACS Med Chem Lett 4: 1059-63 (2013) Article DOI: 10.1021/ml4002419 BindingDB Entry DOI: 10.7270/Q20K2CJZ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50096793 (CHEMBL2370666 | macrocyclic lipopeptidolactone der...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CCN)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C70H116N14O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-45-33-51(93)77-54(38(5)85)64(99)74-37(4)60(95)76-47(31-42-21-23-43(89)24-22-42)61(96)79-53(36(2)3)68(103)84-35-44(90)32-48(84)62(97)80-56(40(7)87)66(101)81-57(41(8)88)69(104)83-30-27-50(92)59(83)67(102)82-58(49(91)26-29-72)63(98)73-34-52(94)78-55(39(6)86)65(100)75-46(25-28-71)70(105)106-45/h21-24,36-41,44-50,53-59,85-92H,9-20,25-35,71-72H2,1-8H3,(H,73,98)(H,74,99)(H,75,100)(H,76,95)(H,77,93)(H,78,94)(H,79,96)(H,80,97)(H,81,101)(H,82,102)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,53+,54+,55+,56+,57+,58+,59+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans				Bioorg Med Chem Lett 11: 395-8 (2001) BindingDB Entry DOI: 10.7270/Q28051W2
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479854 (CHEMBL453394) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3cccc(F)c3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,19-7-5-16(13-28)6-8-19)24-11-18-10-21(31(33)34)12-22(25(18)35-24)17-3-2-4-20(27)9-17/h2-12,14-15,32H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479837 (CHEMBL516034) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H18N4O4/c1-29-16-28-15-23(29)26(31,20-9-7-17(14-27)8-10-20)24-12-19-11-21(30(32)33)13-22(25(19)34-24)18-5-3-2-4-6-18/h2-13,15-16,31H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479838 (CHEMBL513211) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3)c2o1)C(=O)NN1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H27ClN4O4/c1-34-19-32-18-26(34)30(37,23-7-9-24(31)10-8-23)27-17-21-15-22(29(36)33-35-11-13-38-14-12-35)16-25(28(21)39-27)20-5-3-2-4-6-20/h2-10,15-19,37H,11-14H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50443366 (CHEMBL3086065) Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m...				ACS Med Chem Lett 4: 1059-63 (2013) Article DOI: 10.1021/ml4002419 BindingDB Entry DOI: 10.7270/Q20K2CJZ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479839 (CHEMBL517280) Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccc(F)cc3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,19-6-2-16(13-28)3-7-19)24-11-18-10-21(31(33)34)12-22(25(18)35-24)17-4-8-20(27)9-5-17/h2-12,14-15,32H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50494482 (CHEMBL3092191) Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay				ACS Med Chem Lett 4: 1059-63 (2013) Article DOI: 10.1021/ml4002419 BindingDB Entry DOI: 10.7270/Q20K2CJZ
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50443366 (CHEMBL3086065) Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay				ACS Med Chem Lett 4: 1059-63 (2013) Article DOI: 10.1021/ml4002419 BindingDB Entry DOI: 10.7270/Q20K2CJZ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase (Candida albicans (Yeast))	BDBM50096799 (CHEMBL2369134 | macrocyclic lipopeptidolactone der...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(=O)C(N)CCCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C76H126N16O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(102)85-59(41(5)93)70(109)82-40(4)65(104)84-51(33-45-25-27-46(97)28-26-45)67(106)87-58(39(2)3)74(113)92-38-47(98)34-52(92)68(107)88-61(43(7)95)72(111)89-62(44(8)96)75(114)91-32-29-53(99)64(91)73(112)90-63(54(100)36-55(79)101)69(108)81-37-57(103)86-60(42(6)94)71(110)83-50(76(115)116-48)24-21-31-80-66(105)49(78)23-20-30-77/h25-28,39-44,47-54,58-64,93-100H,9-24,29-38,77-78H2,1-8H3,(H2,79,101)(H,80,105)(H,81,108)(H,82,109)(H,83,110)(H,84,104)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,111)(H,90,112)/t40-,41-,42-,43-,44-,47-,48-,49?,50+,51+,52+,53+,54-,58+,59+,60+,61+,62+,63+,64+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans				Bioorg Med Chem Lett 11: 395-8 (2001) BindingDB Entry DOI: 10.7270/Q28051W2
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50479861 (CHEMBL473151) Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O Show InChI InChI=1S/C27H20N4O5/c1-30-16-29-15-24(30)27(32,20-8-6-17(14-28)7-9-20)25-12-19-10-21(31(33)34)13-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16,32H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human FTase				Bioorg Med Chem Lett 19: 1753-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.074 BindingDB Entry DOI: 10.7270/Q28G8PGH
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM401184 (8-Chloro-3-[(5-chloro-2-ethylsulfonylphenyl)methyl...) Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1cnc2c(Cl)c(CN3CC[C@@H](CNC)C3)c(cc2c1=O)C(F)(F)F |r| Show InChI InChI=1S/C25H27Cl2F3N4O3S/c1-3-38(36,37)21-5-4-17(26)8-16(21)12-34-14-32-23-18(24(34)35)9-20(25(28,29)30)19(22(23)27)13-33-7-6-15(11-33)10-31-2/h4-5,8-9,14-15,31H,3,6-7,10-13H2,1-2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description DDR1 binding activity was measured using the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporati...				Bioorg Med Chem 17: 1663-70 (2009) BindingDB Entry DOI: 10.7270/Q2Z03BGV
					More data for this Ligand-Target Pair

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