BDBM50103677 2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrrol-1-yl-phenyl)-2-phenyl-acetamide::CHEMBL73123

SMILES: NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1

InChI Key: InChIKey=HVUHZPALQDNSEC-UHFFFAOYSA-N

Data: 3 IC50

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 = 50103677   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50103677 (2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrr...) Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H20Cl2N4O2/c26-19-15-22(31-11-4-5-12-31)20(27)14-21(19)30-25(32)23(16-7-2-1-3-8-16)33-18-10-6-9-17(13-18)24(28)29/h1-15,23H,(H3,28,29)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				Bioorg Med Chem Lett 11: 2279-82 (2001) BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50103677 (2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrr...) Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H20Cl2N4O2/c26-19-15-22(31-11-4-5-12-31)20(27)14-21(19)30-25(32)23(16-7-2-1-3-8-16)33-18-10-6-9-17(13-18)24(28)29/h1-15,23H,(H3,28,29)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against thrombin				Bioorg Med Chem Lett 11: 2279-82 (2001) BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50103677 (2-(3-Carbamimidoyl-phenoxy)-N-(2,5-dichloro-4-pyrr...) Show SMILES NC(=N)c1cccc(OC(C(=O)Nc2cc(Cl)c(cc2Cl)-n2cccc2)c2ccccc2)c1 Show InChI InChI=1S/C25H20Cl2N4O2/c26-19-15-22(31-11-4-5-12-31)20(27)14-21(19)30-25(32)23(16-7-2-1-3-8-16)33-18-10-6-9-17(13-18)24(28)29/h1-15,23H,(H3,28,29)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against coagulation factor X				Bioorg Med Chem Lett 11: 2279-82 (2001) BindingDB Entry DOI: 10.7270/Q2SQ8ZN4
					More data for this Ligand-Target Pair