null

SMILES: CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1

InChI Key: InChIKey=JAKUIQCTPLJMHE-XJYWMWMZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50133957   

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
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133957 ((S)-2-[(3aS,6S,6aR)-6-Methyl-4-((2R,3S)-2-(S)-meth...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1 Show InChI InChI=1S/C28H38N4O4/c1-15(2)19-8-10-20(11-9-19)29-28(36)30-13-6-7-22(30)26(34)31-14-12-21-24(31)18(5)25(33)32(21)27(35)23-16(3)17(23)4/h8-11,15-18,21-24H,6-7,12-14H2,1-5H3,(H,29,36)/t16-,17+,18-,21-,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human cytomegalovirus protease in HCMV pNA assay.				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50133957 ((S)-2-[(3aS,6S,6aR)-6-Methyl-4-((2R,3S)-2-(S)-meth...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1 Show InChI InChI=1S/C28H38N4O4/c1-15(2)19-8-10-20(11-9-19)29-28(36)30-13-6-7-22(30)26(34)31-14-12-21-24(31)18(5)25(33)32(21)27(35)23-16(3)17(23)4/h8-11,15-18,21-24H,6-7,12-14H2,1-5H3,(H,29,36)/t16-,17+,18-,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit Acetylcholinesterase				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50133957 ((S)-2-[(3aS,6S,6aR)-6-Methyl-4-((2R,3S)-2-(S)-meth...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1 Show InChI InChI=1S/C28H38N4O4/c1-15(2)19-8-10-20(11-9-19)29-28(36)30-13-6-7-22(30)26(34)31-14-12-21-24(31)18(5)25(33)32(21)27(35)23-16(3)17(23)4/h8-11,15-18,21-24H,6-7,12-14H2,1-5H3,(H,29,36)/t16-,17+,18-,21-,22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Concentration of compound required to inhibit thrombin				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair
Capsid scaffolding protein (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133957 ((S)-2-[(3aS,6S,6aR)-6-Methyl-4-((2R,3S)-2-(S)-meth...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1 Show InChI InChI=1S/C28H38N4O4/c1-15(2)19-8-10-20(11-9-19)29-28(36)30-13-6-7-22(30)26(34)31-14-12-21-24(31)18(5)25(33)32(21)27(35)23-16(3)17(23)4/h8-11,15-18,21-24H,6-7,12-14H2,1-5H3,(H,29,36)/t16-,17+,18-,21-,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency against human cytomegalovirus protease in HCMV pNA assay				J Med Chem 46: 4428-49 (2003) Article DOI: 10.1021/jm030810w BindingDB Entry DOI: 10.7270/Q2WH2PD8
					More data for this Ligand-Target Pair