BDBM50069297 1-[3-[4-amino(amineimino)methylphenyl]-2-(2-naphthylsulfonamido)-(2S)-propanoyl]azepane::Benzamidrazone derivative::CHEMBL347158

SMILES: NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1

InChI Key: InChIKey=MDGUUQCANUIXCB-DEOSSOPVSA-N

Data: 3 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 3 hits for monomerid = 50069297   

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
Thrombin (Bos taurus (Bovine))	BDBM50069297 (1-[3-[4-amino(amineimino)methylphenyl]-2-(2-naphth...) Show SMILES NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 |w:1.0| Show InChI InChI=1S/C26H31N5O3S/c27-25(29-28)21-11-9-19(10-12-21)17-24(26(32)31-15-5-1-2-6-16-31)30-35(33,34)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,30H,1-2,5-6,15-17,28H2,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory effect against bovine thrombin				Bioorg Med Chem Lett 7: 769-774 (1997) Article DOI: 10.1016/S0960-894X(97)00115-7 BindingDB Entry DOI: 10.7270/Q2B27V9F
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50069297 (1-[3-[4-amino(amineimino)methylphenyl]-2-(2-naphth...) Show SMILES NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 |w:1.0| Show InChI InChI=1S/C26H31N5O3S/c27-25(29-28)21-11-9-19(10-12-21)17-24(26(32)31-15-5-1-2-6-16-31)30-35(33,34)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,30H,1-2,5-6,15-17,28H2,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50069297 (1-[3-[4-amino(amineimino)methylphenyl]-2-(2-naphth...) Show SMILES NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 |w:1.0| Show InChI InChI=1S/C26H31N5O3S/c27-25(29-28)21-11-9-19(10-12-21)17-24(26(32)31-15-5-1-2-6-16-31)30-35(33,34)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,30H,1-2,5-6,15-17,28H2,(H2,27,29)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory effect of compound was measured in bovine trypsin				Bioorg Med Chem Lett 7: 769-774 (1997) Article DOI: 10.1016/S0960-894X(97)00115-7 BindingDB Entry DOI: 10.7270/Q2B27V9F
					More data for this Ligand-Target Pair