BDBM50085401 CHEMBL421676::N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-4-(3H-imidazol-4-yl)-benzamide

SMILES: NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1

InChI Key: InChIKey=GHYAMUIQUOQEJY-UHFFFAOYSA-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 = 50085401   

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))	BDBM50085401 (CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...) Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8| Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	19	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))	BDBM50085401 (CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...) Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8| Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.80E+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))	BDBM50085401 (CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...) Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8| Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>4.00E+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