Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50006689   

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))	BDBM50502491 (CHEMBL4443354 | US11834430, Compound 41) Show SMILES C[C@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N |r| Show InChI InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502493 (CHEMBL4558383 | US11834430, Compound 81) Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C1CC1)C#N |r| Show InChI InChI=1S/C23H23N3O3/c1-16(29-21-9-6-17(14-24)12-22(21)27-2)15-28-20-5-3-4-19(13-20)26-11-10-25-23(26)18-7-8-18/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502489 (CHEMBL4583704 | US11834430, Compound 72) Show SMILES COc1cc(ccc1O[C@@H](C)COc1cccc(c1)-n1ccnc1C)C#N |r| Show InChI InChI=1S/C21H21N3O3/c1-15(27-20-8-7-17(13-22)11-21(20)25-3)14-26-19-6-4-5-18(12-19)24-10-9-23-16(24)2/h4-12,15H,14H2,1-3H3/t15-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502494 (CHEMBL4446351 | US11834430, Compound 9) Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N Show InChI InChI=1S/C21H18ClN3O2/c22-19-12-15(14-23)4-7-20(19)27-11-10-26-18-3-1-2-17(13-18)25-9-8-24-21(25)16-5-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502488 (CHEMBL4449942 | US11834430, Compound 62) Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1 Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502486 (CHEMBL4468997 | US11834430, Compound 5) Show SMILES Cc1nccn1-c1cccc(OCCOc2ccc(cc2Cl)C#N)c1 Show InChI InChI=1S/C19H16ClN3O2/c1-14-22-7-8-23(14)16-3-2-4-17(12-16)24-9-10-25-19-6-5-15(13-21)11-18(19)20/h2-8,11-12H,9-10H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502492 (CHEMBL4446048 | US11834430, Compound 8) Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N Show InChI InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502490 (CHEMBL4464629 | US11834430, Compound 47) Show SMILES C[C@@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1F)C#N |r| Show InChI InChI=1S/C20H18FN3O2/c1-14(26-20-7-6-15(12-22)10-18(20)21)13-25-17-5-3-4-16(11-17)19-8-9-23-24(19)2/h3-11,14H,13H2,1-2H3/t14-/m0/s1	KEGG UniProtKB/SwissProt 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
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502487 (CHEMBL4473893 | US11834430, Compound 15) Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-c1ccnn1C)C#N Show InChI InChI=1S/C20H19N3O3/c1-23-18(8-9-22-23)16-4-3-5-17(13-16)25-10-11-26-19-7-6-15(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3	KEGG UniProtKB/SwissProt 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
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase (Homo sapiens (Human))	BDBM50502495 (CHEMBL4445788 | US11834430, Compound 40) Show SMILES C[C@@H](COc1cccc(c1)-c1ccnn1C)Oc1ccc(cc1C)C#N |r| Show InChI InChI=1S/C21H21N3O2/c1-15-11-17(13-22)7-8-21(15)26-16(2)14-25-19-6-4-5-18(12-19)20-9-10-23-24(20)3/h4-12,16H,14H2,1-3H3/t16-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Usona Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by s...				ACS Med Chem Lett 10: 1024-1025 (2019) Article DOI: 10.1021/acsmedchemlett.9b00269 BindingDB Entry DOI: 10.7270/Q2FN19F4
					More data for this Ligand-Target Pair