BDBM50037981 CHEMBL103102::CHEMBL216318::Piperidine-1-carboxamidine; compound with GENERIC INORGANIC NEUTRAL COMPONENT

SMILES: NC(=N)N1CCCCC1

InChI Key: InChIKey=QUUYRYYUKNNNNS-UHFFFAOYSA-N

Data: 5 KI  2 Kd

PDB links: 14 PDB IDs match 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 7 hits for monomerid = 50037981   

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))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory Activity against human thrombin				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity by measuring the inhibition of human thrombin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory Activity against bovine trypsin				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity by measuring the inhibition of bovine trypsin				J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Binding affinity to thrombin (unknown origin)				J Med Chem 58: 6960-71 (2015) BindingDB Entry DOI: 10.7270/Q26M38M6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry				J Med Chem 58: 6960-71 (2015) BindingDB Entry DOI: 10.7270/Q26M38M6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50037981 (CHEMBL103102 | CHEMBL216318 | Piperidine-1-carboxa...) Show SMILES NC(=N)N1CCCCC1 Show InChI InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	1.97E+5	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Binding affinity to thrombin (unknown origin) by displacement titration based isothermal titration colorimetry				J Med Chem 58: 6960-71 (2015) BindingDB Entry DOI: 10.7270/Q26M38M6
					More data for this Ligand-Target Pair