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BDBM50111114 2N-(4-Benzamidinemethyl)-1-[2-Acetylamino-3,3-diphenyl-(2R)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide;TFA

SMILES: CC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=GXBBKYOZISZBTD-AHKZPQOWSA-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 = 50111114   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50111114
PNG
(2N-(4-Benzamidinemethyl)-1-[2-Acetylamino-3,3-diph...)
Show SMILES CC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C30H33N5O3/c1-20(36)34-27(26(22-9-4-2-5-10-22)23-11-6-3-7-12-23)30(38)35-18-8-13-25(35)29(37)33-19-21-14-16-24(17-15-21)28(31)32/h2-7,9-12,14-17,25-27H,8,13,18-19H2,1H3,(H3,31,32)(H,33,37)(H,34,36)/t25-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 0.160n/an/an/an/an/an/an/an/a



Life Science R&D, LGCI

Curated by ChEMBL


Assay Description
Binding affinity against human thrombin

Bioorg Med Chem Lett 12: 1017-22 (2002)


BindingDB Entry DOI: 10.7270/Q2CV4J9T
More data for this
Ligand-Target Pair