BDBM50067846 (2R,10S,13R,14R,17R)-17-((R)-4,5-Dihydroxy-1,5-dimethyl-hexyl)-2-hydroxy-4,4,10,13,14-pentamethyl-1,2,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one::CLAVARINONE::Clavarinone

SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC(O)C(C)(C)O

InChI Key: InChIKey=TZXHHXSEUPQHDR-ITLZUSRVSA-N

Data: 2 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 2 hits for monomerid = 50067846   

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 (PFT) (Homo sapiens (Human))	BDBM50067846 ((2R,10S,13R,14R,17R)-17-((R)-4,5-Dihydroxy-1,5-dim...) Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC(O)C(C)(C)O |r,c:6| Show InChI InChI=1S/C30H50O4/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h18-19,22-24,31-32,34H,9-17H2,1-8H3/t18-,19-,22-,23+,24?,28-,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description inhibitory activity against human Farnesyltransferase				J Med Chem 41: 4492-501 (1998) Article DOI: 10.1021/jm980356+ BindingDB Entry DOI: 10.7270/Q23779DQ
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50067846 ((2R,10S,13R,14R,17R)-17-((R)-4,5-Dihydroxy-1,5-dim...) Show SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC(O)C(C)(C)O |r,c:6| Show InChI InChI=1S/C30H50O4/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h18-19,22-24,31-32,34H,9-17H2,1-8H3/t18-,19-,22-,23+,24?,28-,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Farnesyltransferase using Ras-CVLS				J Med Chem 41: 4492-501 (1998) Article DOI: 10.1021/jm980356+ BindingDB Entry DOI: 10.7270/Q23779DQ
					More data for this Ligand-Target Pair