BDBM50113795 CHEMBL81251::RS-4-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]-piperidin-1-yl}-3-cyclopentylamino-4-oxo-butyric acid

SMILES: NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCC1

InChI Key: InChIKey=FOTULSFTUPGWSA-NNBQYGFHSA-N

Data: 2 KI

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 2 hits for monomerid = 50113795   

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))	BDBM50113795 (CHEMBL81251 | RS-4-{2-[2-(1-Carbamimidoyl-piperidi...) Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCC1 Show InChI InChI=1S/C22H39N5O4/c23-22(24)26-12-8-18(9-13-26)31-14-10-17-7-3-4-11-27(17)21(30)19(15-20(28)29)25-16-5-1-2-6-16/h16-19,25H,1-15H2,(H3,23,24)(H,28,29)/t17?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50113795 (CHEMBL81251 | RS-4-{2-[2-(1-Carbamimidoyl-piperidi...) Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCC1 Show InChI InChI=1S/C22H39N5O4/c23-22(24)26-12-8-18(9-13-26)31-14-10-17-7-3-4-11-27(17)21(30)19(15-20(28)29)25-16-5-1-2-6-16/h16-19,25H,1-15H2,(H3,23,24)(H,28,29)/t17?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR
					More data for this Ligand-Target Pair