BDBM50060712 (S)-1-(2-10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl-acetyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; TFA::CHEMBL340088

SMILES: NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3CCc3ccccc23)CC1

InChI Key: InChIKey=YFANKMUKNLRNPB-ONHYFPECSA-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 = 50060712   

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))	BDBM50060712 ((S)-1-(2-10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3CCc3ccccc23)CC1 |wU:9.8,(9.3,-14.48,;8.34,-13.29,;7.94,-12.02,;8.58,-10.42,;7.25,-9.65,;5.86,-9.03,;5.7,-7.49,;4.3,-6.86,;3.05,-7.78,;4.14,-5.35,;5.28,-4.32,;4.65,-2.91,;3.14,-3.07,;2.82,-4.58,;1.41,-5.19,;1.25,-6.73,;.17,-4.29,;.16,-2.75,;1.13,-1.55,;2.61,-2.02,;3.75,-.96,;3.41,.54,;1.93,.99,;.8,-.04,;-.58,.64,;-1.97,,;-2.34,-1.51,;-3.86,-1.73,;-4.45,-3.17,;-3.48,-4.39,;-1.95,-4.16,;-1.38,-2.72,;7.65,-10.83,;7.02,-12.52,)| Show InChI InChI=1S/C29H37N3O2/c30-23-15-11-20(12-16-23)19-31-29(34)27-10-5-17-32(27)28(33)18-26-24-8-3-1-6-21(24)13-14-22-7-2-4-9-25(22)26/h1-4,6-9,20,23,26-27H,5,10-19,30H2,(H,31,34)/t20?,23?,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 Thrombin				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair