BDBM50070713 CHEMBL2372657::CHEMBL44009::Nazumamide A (NAZA) analogue

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O

InChI Key: InChIKey=OWDOCURJLMAIAG-OMAYTGPUSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070713   

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
Prothrombin (Homo sapiens (Human))	BDBM50070713 (CHEMBL2372657 | Nazumamide A (NAZA) analogue) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C33H47N5O8S/c1-4-20(2)28(38-30(42)24(12-8-9-16-34)35-29(41)23-19-22(39)13-14-27(23)40)32(44)37-26(18-21-10-6-5-7-11-21)31(43)36-25(33(45)46)15-17-47-3/h5-7,10-11,13-14,19-20,24-26,28,39-40H,4,8-9,12,15-18,34H2,1-3H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)(H,45,46)/t20?,24-,25-,26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	8.3	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.				Bioorg Med Chem Lett 8: 1669-72 (1999) BindingDB Entry DOI: 10.7270/Q2G73CV8
					More data for this Ligand-Target Pair