BDBM50142177 2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylamino}-5-chloro-N-(5-chloro-pyridin-2-yl)-benzamide::CHEMBL176243

SMILES: CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N

InChI Key: InChIKey=XKNLDUVCXUEIJO-UHFFFAOYSA-N

Data: 2 KI  7 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 9 hits for monomerid = 50142177   

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))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against Coagulation factor X				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against trypsin.				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against tissue type plasminogen activator.				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against coagulation factor X.				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin.				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against kallikrein				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against plasmin.				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50142177 (2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against activated protein C				Bioorg Med Chem Lett 14: 989-93 (2004) Article DOI: 10.1016/j.bmcl.2003.11.080 BindingDB Entry DOI: 10.7270/Q2X34WXD
					More data for this Ligand-Target Pair