BDBM33882 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine::MLS000727811::SMR000306508::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_5000438

SMILES: Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1

InChI Key: InChIKey=ZAFULIRXGRRKIP-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 33882   

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
Matriptase (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Kallikrein 14 (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 14 measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Kallikrein 7 (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay				Bioorg Med Chem Lett 23: 4547-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.039 BindingDB Entry DOI: 10.7270/Q23B61JV
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.02% Tween20 surfactant by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.01% Tween20 surfactant by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Akron Curated by ChEMBL					Assay Description Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0% Tween20 surfactant by fluorescence assay				Eur J Med Chem 140: 31-41 (2017) Article DOI: 10.1016/j.ejmech.2017.08.056 BindingDB Entry DOI: 10.7270/Q20G3NR9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM33882 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-chl...) Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1 Show InChI InChI=1S/C14H10ClN5O/c15-11-5-3-9(4-6-11)13(21)20-14(16)18-12(19-20)10-2-1-7-17-8-10/h1-8H,(H2,16,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	781	n/a	n/a	n/a	n/a	7.5	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN
					More data for this Ligand-Target Pair