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6 similar compounds to monomer 50053608

Compile data set for download or QSAR
Wt: 154.5
BDBM50053598
Wt: 482.5
BDBM50100976
Wt: 430.5
BDBM50100974
Wt: 493.5
BDBM50100967
Purchase
Wt: 482.5
BDBM50100968
Wt: 455.5
BDBM50100972

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50053598,50100976,50100974,50100967,50100968,50100972   
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))
BDBM50100974
PNG
(CHEMBL317739)
Show SMILES C[C@@H](CNc1ncc(C)n(CC(=O)NCc2ccc3[nH]ncc3c2)c1=O)c1ccccc1
Show InChI InChI=1S/C7H7Cl2N3/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3H,(H4,10,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.70n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate


Bioorg Med Chem Lett 12: 2925-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00585-1
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50100972
PNG
(CHEMBL98152)
Show SMILES Cc1cnc(NCCc2ccc3CCCc3c2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C7H6Cl3N3/c8-4-1-3(13-7(11)12)2-5(9)6(4)10/h1-2H,(H4,11,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate


Bioorg Med Chem Lett 12: 2925-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00585-1
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50100976
PNG
(CHEMBL318241)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2n1
Show InChI InChI=1S/C9H12ClN3/c1-11-9(12-2)13-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H2,11,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
203n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate


Bioorg Med Chem Lett 12: 2925-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00585-1
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50100967
PNG
(CHEMBL101615)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3OCCc3c2)c(=O)n1CC(=O)NCc1ccc2c[nH]nc2c1
Show InChI InChI=1S/C7H7Cl2N3/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3H,(H4,10,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate


Bioorg Med Chem Lett 12: 2925-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00585-1
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50100968
PNG
(CHEMBL101262)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc3c(N)[nH]nc3c2)c1=O
Show InChI InChI=1S/C8H10ClN3/c1-11-8(10)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H3,10,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.57E+3n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate


Bioorg Med Chem Lett 12: 2925-30 (2002)


Article DOI: 10.1016/s0960-894x(02)00585-1
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053598
PNG
(CHEMBL128071 | N-(3-Chloro-phenyl)-formamidine)
Show SMILES NC=Nc1cccc(Cl)c1
Show InChI InChI=1S/C7H7ClN2/c8-6-2-1-3-7(4-6)10-5-9/h1-5H,(H2,9,10)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair