BDBM50085391 CHEMBL302064::N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-propyl]-4-pyridin-3-yl-benzamide

SMILES: NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1

InChI Key: InChIKey=UBSXOBOLHKXKMV-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 = 50085391   

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))	BDBM50085391 (CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...) Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	38	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))	BDBM50085391 (CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...) Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.90E+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))	BDBM50085391 (CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...) Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28)	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