BDBM14713 GGTI-DU40::N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{[1-(3,4-dichlorophenyl)-4-[2-(methylsulfanyl)ethyl]-3-(pyridin-3-yl)-1H-pyrazol-5-yl]oxy}butanamide::N-[(S)-1-carbamoyl-2-phenylethyl]-4-[2-(3,4-di-chlorophenyl)-4-(2-methylsulfanylethyl)-5-pyridin-3-yl-2-H-pyrazol-3-yloxy]butyramide

SMILES: CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BOIWFQJWKKPATQ-SANMLTNESA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 14713   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14713 (GGTI-DU40 | N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{...) Show SMILES CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H31Cl2N5O3S/c1-41-16-13-23-28(21-9-5-14-34-19-21)36-37(22-11-12-24(31)25(32)18-22)30(23)40-15-6-10-27(38)35-26(29(33)39)17-20-7-3-2-4-8-20/h2-5,7-9,11-12,14,18-19,26H,6,10,13,15-17H2,1H3,(H2,33,39)(H,35,38)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.7	30
Duke University Medical Center					Assay Description Compounds were tested as inhibitors of FTase or GGTase-1 in vitro using purified recombinant mammalian enzymes to catalyze the reactions between [3H]...				J Biol Chem 281: 12445-50 (2006) Article DOI: 10.1074/jbc.M600168200 BindingDB Entry DOI: 10.7270/Q2PC30N8
					More data for this Ligand-Target Pair
Glutathione hydrolase 1 proenzyme (Homo sapiens (Human))	BDBM14713 (GGTI-DU40 | N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{...) Show SMILES CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H31Cl2N5O3S/c1-41-16-13-23-28(21-9-5-14-34-19-21)36-37(22-11-12-24(31)25(32)18-22)30(23)40-15-6-10-27(38)35-26(29(33)39)17-20-7-3-2-4-8-20/h2-5,7-9,11-12,14,18-19,26H,6,10,13,15-17H2,1H3,(H2,33,39)(H,35,38)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Fahd University of Petroleum and Minerals Curated by ChEMBL					Assay Description Inhibition of recombinant GGT1 (unknown origin) using GGPP as substrate preincubated for 5 mins followed by protein addition measured over 20 mins by...				Eur J Med Chem 124: 666-676 (2016) Article DOI: 10.1016/j.ejmech.2016.09.002 BindingDB Entry DOI: 10.7270/Q2XG9T3H
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta [A2V]/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14713 (GGTI-DU40 | N-[(1S)-1-carbamoyl-2-phenylethyl]-4-{...) Show SMILES CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C30H31Cl2N5O3S/c1-41-16-13-23-28(21-9-5-14-34-19-21)36-37(22-11-12-24(31)25(32)18-22)30(23)40-15-6-10-27(38)35-26(29(33)39)17-20-7-3-2-4-8-20/h2-5,7-9,11-12,14,18-19,26H,6,10,13,15-17H2,1H3,(H2,33,39)(H,35,38)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.24	n/a	n/a	n/a	n/a	7.7	30
Duke University Medical Center					Assay Description Compounds were tested as inhibitors of FTase or GGTase-1 in vitro using purified recombinant mammalian enzymes to catalyze the reactions between [3H]...				J Biol Chem 281: 12445-50 (2006) Article DOI: 10.1074/jbc.M600168200 BindingDB Entry DOI: 10.7270/Q2PC30N8
					More data for this Ligand-Target Pair