BDBM16303 2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiazole-6-carboximidamide::2-(1H-benzimidazol-2-ylmethyl)-1H-benzimidazole-6-carboximidamide::APD-1::CHEMBL46148

SMILES: NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1

InChI Key: InChIKey=KKJYVDXDZURHMA-UHFFFAOYSA-N

Data: 12 KI

PDB links: 4 PDB IDs match this monomer. 9 PDB IDs contain this monomer as substructures. 9 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 12 hits for monomerid = 16303   

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
Prothrombin (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to thrombin in presence of Zn2+				Bioorg Med Chem Lett 16: 710-3 (2005) Article DOI: 10.1016/j.bmcl.2005.10.023 BindingDB Entry DOI: 10.7270/Q2VM4BSJ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to FXa in presence of Zn2+				Bioorg Med Chem Lett 16: 710-3 (2005) Article DOI: 10.1016/j.bmcl.2005.10.023 BindingDB Entry DOI: 10.7270/Q2VM4BSJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.60	-11.1	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	23.5	-10.3	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	69.5	-9.66	n/a	n/a	n/a	n/a	n/a	8.2	22
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to FVIIa in presence of Zn2+				Bioorg Med Chem Lett 16: 710-3 (2005) Article DOI: 10.1016/j.bmcl.2005.10.023 BindingDB Entry DOI: 10.7270/Q2VM4BSJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to FXa in absence of Zn2+				Bioorg Med Chem Lett 16: 710-3 (2005) Article DOI: 10.1016/j.bmcl.2005.10.023 BindingDB Entry DOI: 10.7270/Q2VM4BSJ
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to FVIIa in absence of Zn2+				Bioorg Med Chem Lett 16: 710-3 (2005) Article DOI: 10.1016/j.bmcl.2005.10.023 BindingDB Entry DOI: 10.7270/Q2VM4BSJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Binding affinity to thrombin in absence of Zn2+				Bioorg Med Chem Lett 16: 710-3 (2005) Article DOI: 10.1016/j.bmcl.2005.10.023 BindingDB Entry DOI: 10.7270/Q2VM4BSJ
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1 Show InChI InChI=1S/C16H14N6/c17-16(18)9-5-6-12-13(7-9)22-15(21-12)8-14-19-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H3,17,18)(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arris					Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th...				Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9
					More data for this Ligand-Target Pair