BDBM50164266 (S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid 2-(2-amino-ethyl)-5-chloro-benzylamide::CHEMBL193188

SMILES: NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc12

InChI Key: InChIKey=YFFJFNNXJFVMIK-VWLOTQADSA-N

Data: 1 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 1 hit for monomerid = 50164266   

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))	BDBM50164266 ((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...) Show SMILES NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C28H28ClN3O3/c29-20-12-11-18(13-14-30)19(16-20)17-31-26(33)25-10-5-15-32(25)27(34)28(35)23-8-3-1-6-21(23)22-7-2-4-9-24(22)28/h1-4,6-9,11-12,16,25,35H,5,10,13-15,17,30H2,(H,31,33)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of coagulation factor II (thrombin) of human				J Med Chem 48: 2282-93 (2005) Article DOI: 10.1021/jm049423s BindingDB Entry DOI: 10.7270/Q2BR8RPD
					More data for this Ligand-Target Pair