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BDBM50062632 (S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide::1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide(L-372,460)::CHEMBL262967

SMILES: NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc23)CC1

InChI Key: InChIKey=WJPYSLNVRNBWAJ-KXXGJQBSSA-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 = 50062632   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50062632
PNG
((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc23)CC1 |wU:9.8,(14.19,2.05,;14.19,.5,;12.85,-.27,;11.75,-1.35,;10.61,-.46,;9.27,-1.25,;7.92,-.46,;6.6,-1.25,;6.6,-2.79,;5.26,-.46,;5.74,1.01,;4.49,1.91,;3.25,1.01,;3.73,-.46,;2.38,-1.25,;2.38,-2.8,;1.06,-.48,;1.04,-2.03,;.88,1.06,;1.9,2.2,;1.42,3.67,;-.09,3.99,;-1.11,2.84,;-.63,1.38,;-1.4,.05,;-2.9,-.27,;-3.38,-1.73,;-2.34,-2.88,;-.85,-2.56,;-.37,-1.1,;12.11,-.06,;12.85,1.27,)|
Show InChI InChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against Thrombin.


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50062632
PNG
((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2(O)c3ccccc3-c3ccccc23)CC1 |wU:9.8,(14.19,2.05,;14.19,.5,;12.85,-.27,;11.75,-1.35,;10.61,-.46,;9.27,-1.25,;7.92,-.46,;6.6,-1.25,;6.6,-2.79,;5.26,-.46,;5.74,1.01,;4.49,1.91,;3.25,1.01,;3.73,-.46,;2.38,-1.25,;2.38,-2.8,;1.06,-.48,;1.04,-2.03,;.88,1.06,;1.9,2.2,;1.42,3.67,;-.09,3.99,;-1.11,2.84,;-.63,1.38,;-1.4,.05,;-2.9,-.27,;-3.38,-1.73,;-2.34,-2.88,;-.85,-2.56,;-.37,-1.1,;12.11,-.06,;12.85,1.27,)|
Show InChI InChI=1S/C26H31N3O3/c27-18-13-11-17(12-14-18)16-28-24(30)23-10-5-15-29(23)25(31)26(32)21-8-3-1-6-19(21)20-7-2-4-9-22(20)26/h1-4,6-9,17-18,23,32H,5,10-16,27H2,(H,28,30)/t17?,18?,23-/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
860n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Binding affinity against Trypsin


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair