BDBM50494942 CHEMBL3098169

SMILES: COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=IAIQWZWCTFKJCL-INHNJZCXSA-N

Data: 2 KI

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 = 50494942   

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
Inosine-5'-monophosphate dehydrogenase (IMPDH) (Homo sapiens (Human))	BDBM50494942 (CHEMBL3098169) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C38H42N8O9/c1-18(8-10-22-30(48)28-23(15-54-38(28)52)19(2)33(22)53-3)9-11-27(47)45-25(12-20-13-40-24-7-5-4-6-21(20)24)36(51)41-14-26-31(49)32(50)37(55-26)46-17-44-29-34(39)42-16-43-35(29)46/h4-8,13,16-17,25-26,31-32,37,40,48-50H,9-12,14-15H2,1-3H3,(H,41,51)(H,45,47)(H2,39,42,43)/b18-8+/t25-,26-,31-,32-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of IMPDH2 (unknown origin)				Bioorg Med Chem Lett 24: 332-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.005 BindingDB Entry DOI: 10.7270/Q2BP05RJ
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50494942 (CHEMBL3098169) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C38H42N8O9/c1-18(8-10-22-30(48)28-23(15-54-38(28)52)19(2)33(22)53-3)9-11-27(47)45-25(12-20-13-40-24-7-5-4-6-21(20)24)36(51)41-14-26-31(49)32(50)37(55-26)46-17-44-29-34(39)42-16-43-35(29)46/h4-8,13,16-17,25-26,31-32,37,40,48-50H,9-12,14-15H2,1-3H3,(H,41,51)(H,45,47)(H2,39,42,43)/b18-8+/t25-,26-,31-,32-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of IMPDH1 (unknown origin)				Bioorg Med Chem Lett 24: 332-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.005 BindingDB Entry DOI: 10.7270/Q2BP05RJ
					More data for this Ligand-Target Pair