BDBM50113784 CHEMBL81844::R-(2-{2-[2-(4-Carbamimidoyl-phenoxy)-ethyl]-piperidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid

SMILES: NC(=N)c1ccc(OCC[C@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1

InChI Key: InChIKey=AIKZCPCLXWGIAG-IFMALSPDSA-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 = 50113784   

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))	BDBM50113784 (CHEMBL81844 | R-(2-{2-[2-(4-Carbamimidoyl-phenoxy)...) Show SMILES NC(=N)c1ccc(OCC[C@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 Show InChI InChI=1S/C25H38N4O4/c26-24(27)19-9-11-21(12-10-19)33-15-13-20-8-4-5-14-29(20)25(32)22(28-17-23(30)31)16-18-6-2-1-3-7-18/h9-12,18,20,22,28H,1-8,13-17H2,(H3,26,27)(H,30,31)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	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))	BDBM50113784 (CHEMBL81844 | R-(2-{2-[2-(4-Carbamimidoyl-phenoxy)...) Show SMILES NC(=N)c1ccc(OCC[C@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 Show InChI InChI=1S/C25H38N4O4/c26-24(27)19-9-11-21(12-10-19)33-15-13-20-8-4-5-14-29(20)25(32)22(28-17-23(30)31)16-18-6-2-1-3-7-18/h9-12,18,20,22,28H,1-8,13-17H2,(H3,26,27)(H,30,31)/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+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