Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50034481   

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
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363182 (CHEMBL1946584) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]\[#6](-[#6]-[#6]-c1ccc(cc1)-c1ccccc1)=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C38H39NO4S/c1-28(2)17-18-30(20-19-29-21-23-32(24-22-29)31-11-5-3-6-12-31)25-26-44-27-35(38(41)42)39-37(40)34-15-9-10-16-36(34)43-33-13-7-4-8-14-33/h3-17,21-25,35H,18-20,26-27H2,1-2H3,(H,39,40)(H,41,42)/b30-25-/t35-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363181 (CHEMBL1946583) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363194 (CHEMBL1946775) Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#16]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O)-[#6](=O)-c1ccccc1-[#8]-c1ccccc1 |r| Show InChI InChI=1S/C32H41NO4S/c1-24(2)13-11-14-25(3)15-12-16-26(4)21-22-38-23-29(32(35)36)33(5)31(34)28-19-9-10-20-30(28)37-27-17-7-6-8-18-27/h6-10,13,15,17-21,29H,11-12,14,16,22-23H2,1-5H3,(H,35,36)/b25-15+,26-21+/t29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363191 (CHEMBL1946593) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C31H39NO4S/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-37-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)36-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363189 (CHEMBL1946591) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C32H41NO4S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-38-23-29(32(35)36)33-31(34)28-18-8-9-19-30(28)37-22-27-16-6-5-7-17-27/h5-9,12,14,16-20,29H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363186 (CHEMBL1946588) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#16]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C31H39NO3S2/c1-23(2)12-10-13-24(3)14-11-15-25(4)20-21-36-22-28(31(34)35)32-30(33)27-18-8-9-19-29(27)37-26-16-6-5-7-17-26/h5-9,12,14,16-20,28H,10-11,13,15,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-14+,25-20+/t28-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363184 (CHEMBL1946586) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cccc(-[#8]-c2ccccc2)c1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C31H39NO4S/c1-23(2)11-8-12-24(3)13-9-14-25(4)19-20-37-22-29(31(34)35)32-30(33)26-15-10-18-28(21-26)36-27-16-6-5-7-17-27/h5-7,10-11,13,15-19,21,29H,8-9,12,14,20,22H2,1-4H3,(H,32,33)(H,34,35)/b24-13+,25-19+/t29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363193 (CHEMBL1946595) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C36H47NO4S/c1-27(2)14-11-15-28(3)16-12-17-29(4)18-13-19-30(5)24-25-42-26-33(36(39)40)37-35(38)32-22-9-10-23-34(32)41-31-20-7-6-8-21-31/h6-10,14,16,18,20-24,33H,11-13,15,17,19,25-26H2,1-5H3,(H,37,38)(H,39,40)/b28-16+,29-18+,30-24+/t33-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363185 (CHEMBL1946587) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#6]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C32H41NO3S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-37-23-30(32(35)36)33-31(34)29-19-9-8-18-28(29)22-27-16-6-5-7-17-27/h5-9,12,14,16-20,30H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t30-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363190 (CHEMBL1946592) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#6]-[#8]-[#6]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C33H43NO4S/c1-25(2)12-10-13-26(3)14-11-15-27(4)20-21-39-24-31(33(36)37)34-32(35)30-19-9-8-18-29(30)23-38-22-28-16-6-5-7-17-28/h5-9,12,14,16-20,31H,10-11,13,15,21-24H2,1-4H3,(H,34,35)(H,36,37)/b26-14+,27-20+/t31-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363187 (CHEMBL1946589) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1cccc2c3ccccc3oc12)-[#6](-[#8])=O |r| Show InChI InChI=1S/C31H37NO4S/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-19-37-20-27(31(34)35)32-30(33)26-16-9-15-25-24-14-5-6-17-28(24)36-29(25)26/h5-6,9-10,12,14-18,27H,7-8,11,13,19-20H2,1-4H3,(H,32,33)(H,34,35)/b22-12+,23-18+/t27-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363183 (CHEMBL1946585) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(-[#8]-c2ccccc2)cc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C31H39NO4S/c1-23(2)10-8-11-24(3)12-9-13-25(4)20-21-37-22-29(31(34)35)32-30(33)26-16-18-28(19-17-26)36-27-14-6-5-7-15-27/h5-7,10,12,14-20,29H,8-9,11,13,21-22H2,1-4H3,(H,32,33)(H,34,35)/b24-12+,25-20+/t29-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363188 (CHEMBL1946590) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#6]-[#8]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C32H41NO4S/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-38-23-30(32(35)36)33-31(34)29-19-9-8-16-27(29)22-37-28-17-6-5-7-18-28/h5-9,12,14,16-20,30H,10-11,13,15,21-23H2,1-4H3,(H,33,34)(H,35,36)/b25-14+,26-20+/t30-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363192 (CHEMBL1946594) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1-[#8]-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H31NO4S/c1-19(2)10-9-11-20(3)16-17-32-18-23(26(29)30)27-25(28)22-14-7-8-15-24(22)31-21-12-5-4-6-13-21/h4-8,10,12-16,23H,9,11,17-18H2,1-3H3,(H,27,28)(H,29,30)/b20-16+/t23-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50363195 (CHEMBL1946776) Show SMILES CCCCCCCCCCCSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H37NO4S/c1-2-3-4-5-6-7-8-9-15-20-33-21-24(27(30)31)28-26(29)23-18-13-14-19-25(23)32-22-16-11-10-12-17-22/h10-14,16-19,24H,2-9,15,20-21H2,1H3,(H,28,29)(H,30,31)/t24-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cystei...				Bioorg Med Chem 20: 283-95 (2011) Article DOI: 10.1016/j.bmc.2011.10.087 BindingDB Entry DOI: 10.7270/Q2QZ2BD2
					More data for this Ligand-Target Pair