BDBM50085399 4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-phenyl)-allyl]-benzamide::CHEMBL305425

SMILES: CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N

InChI Key: InChIKey=INJGCNYLOZFBRY-SNAWJCMRSA-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 = 50085399   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50085399 (4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-p...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N Show InChI InChI=1S/C21H25N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h4-11,13,25H,12H2,1-3H3,(H3,22,23)(H,24,26)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085399 (4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-p...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N Show InChI InChI=1S/C21H25N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h4-11,13,25H,12H2,1-3H3,(H3,22,23)(H,24,26)/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085399 (4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-p...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N Show InChI InChI=1S/C21H25N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h4-11,13,25H,12H2,1-3H3,(H3,22,23)(H,24,26)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor IIa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair