BDBM50531178 CHEMBL4546517

SMILES: [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO

InChI Key: InChIKey=RBPXDDKOZBAQRF-ZSCHSRKISA-N

Data: 8 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 8 hits for monomerid = 50531178   

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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged GGPPS expressed in Escherichia coli BL21 (DE3) using FPP and [14C] IPP as...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged GGPPS expressed in Escherichia coli BL21 (DE3) using FPP and [14C] IPP as...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531178 (CHEMBL4546517) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)c1nnc(o1)[C@H](C)NCO |r| Show InChI InChI=1S/C24H35N3O4/c1-13(2)16-11-15-7-8-17-23(4,5)9-6-10-24(17,18(15)20(30)19(16)29)22-27-26-21(31-22)14(3)25-12-28/h11,13-14,17,25,28-30H,6-10,12H2,1-5H3/t14-,17-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair