BDBM50133952 (S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-pyrrolidine-1-carboxylic acid (4-isopropyl-phenyl)-amide::CHEMBL344656

SMILES: CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1

InChI Key: InChIKey=WTZRHKMMAVQPDV-ZDKQOFBKSA-N

Data: 1 KI  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 4 hits for monomerid = 50133952   

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
Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133952 ((S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H33N5O3S/c1-17(2)19-10-12-20(13-11-19)30-28(37)32-15-6-8-23(32)27(36)33-16-14-22-25(33)18(3)26(35)34(22)29-31-21-7-4-5-9-24(21)38-29/h4-5,7,9-13,17-18,22-23,25H,6,8,14-16H2,1-3H3,(H,30,37)/t18-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50133952 ((S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H33N5O3S/c1-17(2)19-10-12-20(13-11-19)30-28(37)32-15-6-8-23(32)27(36)33-16-14-22-25(33)18(3)26(35)34(22)29-31-21-7-4-5-9-24(21)38-29/h4-5,7,9-13,17-18,22-23,25H,6,8,14-16H2,1-3H3,(H,30,37)/t18-,22-,23-,25+/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
Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50133952 ((S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H33N5O3S/c1-17(2)19-10-12-20(13-11-19)30-28(37)32-15-6-8-23(32)27(36)33-16-14-22-25(33)18(3)26(35)34(22)29-31-21-7-4-5-9-24(21)38-29/h4-5,7,9-13,17-18,22-23,25H,6,8,14-16H2,1-3H3,(H,30,37)/t18-,22-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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
Prothrombin (Homo sapiens (Human))	BDBM50133952 ((S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5...) Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C29H33N5O3S/c1-17(2)19-10-12-20(13-11-19)30-28(37)32-15-6-8-23(32)27(36)33-16-14-22-25(33)18(3)26(35)34(22)29-31-21-7-4-5-9-24(21)38-29/h4-5,7,9-13,17-18,22-23,25H,6,8,14-16H2,1-3H3,(H,30,37)/t18-,22-,23-,25+/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 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