BDBM50041225 3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrrolidin-3-yloxy)-phenyl]-propionic acid::CHEMBL279959

SMILES: NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1

InChI Key: InChIKey=YFNXUXZGVHFDFG-HMTLIYDFSA-N

Data: 2 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 2 hits for monomerid = 50041225   

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))	BDBM50041225 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1 Show InChI InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041225 (3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...) Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1 Show InChI InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%				J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6
					More data for this Ligand-Target Pair