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10 similar compounds to monomer 50125839

Wt: 354.4
BDBM50087829
Wt: 368.4
BDBM50087830
Wt: 382.4
BDBM50087833
Wt: 396.5
BDBM50087834
Wt: 368.4
BDBM50125846
Wt: 382.4
BDBM50125850
Wt: 390.4
BDBM50125854
Wt: 376.4
BDBM50125871
Wt: 354.4
BDBM50125874
Wt: 524.5
BDBM50087838

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50087829,50087830,50087833,50087834,50125846,50125850,50125854,50125871,50125874,50087838   
Target
(Institution)
LigandTarget
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))
BDBM50087829
PNG
(2-(Piperidine-1-carbonyl)-cyclopent-2-enecarboxyli...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N4O2/c21-18(22)15-9-7-14(8-10-15)13-23-19(25)16-5-4-6-17(16)20(26)24-11-2-1-3-12-24/h6-10,16H,1-5,11-13H2,(H3,21,22)(H,23,25)/t16-/m1/s1
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PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin


J Med Chem 43: 1705-13 (2000)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50087830
PNG
(CHEMBL49808 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C21H28N4O2/c22-19(23)15-11-9-14(10-12-15)13-24-20(26)17-7-4-8-18(17)21(27)25-16-5-2-1-3-6-16/h8-12,16-17H,1-7,13H2,(H3,22,23)(H,24,26)(H,25,27)/t17-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin


J Med Chem 43: 1705-13 (2000)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50087833
PNG
(CHEMBL298879 | Cyclopent-2-ene-1,2-dicarboxylic ac...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C22H30N4O2/c23-20(24)17-11-9-16(10-12-17)14-26-22(28)19-8-4-7-18(19)21(27)25-13-15-5-2-1-3-6-15/h7,9-12,15,19H,1-6,8,13-14H2,(H3,23,24)(H,25,27)(H,26,28)/t19-/m1/s1
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n/an/a 9.33E+3n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin


J Med Chem 43: 1705-13 (2000)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50087834
PNG
(CHEMBL50117 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES CCN(C1CCCCC1)C(=O)C1=CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H32N4O2/c1-2-27(18-7-4-3-5-8-18)23(29)20-10-6-9-19(20)22(28)26-15-16-11-13-17(14-12-16)21(24)25/h10-14,18-19H,2-9,15H2,1H3,(H3,24,25)(H,26,28)/t19-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin


J Med Chem 43: 1705-13 (2000)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50125871
PNG
(CHEMBL17646 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CCC=C2C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H24N4O2/c23-20(24)17-11-9-16(10-12-17)14-26-22(28)19-8-4-7-18(19)21(27)25-13-15-5-2-1-3-6-15/h1-3,5-7,9-12,19H,4,8,13-14H2,(H3,23,24)(H,25,27)(H,26,28)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin


J Med Chem 43: 1705-13 (2000)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50087830
PNG
(CHEMBL49808 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C21H28N4O2/c22-19(23)15-11-9-14(10-12-15)13-24-20(26)17-7-4-8-18(17)21(27)25-16-5-2-1-3-6-16/h8-12,16-17H,1-7,13H2,(H3,22,23)(H,24,26)(H,25,27)/t17-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50087838
PNG
(CHEMBL3426802)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3C(F)(F)F)cc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C31H31F3O4/c1-29(2)13-22(35)27-24(15-29)38-25-16-30(3,4)14-23(36)28(25)26(27)18-9-11-20(12-10-18)37-17-19-7-5-6-8-21(19)31(32,33)34/h5-12,26H,13-17H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mu opioid receptor-1 expressed in CHO cells assessed as potentiation of endomorphin 1-induced response after ...


J Med Chem 58: 4220-9 (2015)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50125850
PNG
(CHEMBL278282 | Cyclohex-2-ene-1,2-dicarboxylic aci...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CCCC=C2C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C22H30N4O2/c23-20(24)16-12-10-15(11-13-16)14-25-21(27)18-8-4-5-9-19(18)22(28)26-17-6-2-1-3-7-17/h9-13,17-18H,1-8,14H2,(H3,23,24)(H,25,27)(H,26,28)
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n/an/a>1.30E+5n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50125854
PNG
(CHEMBL17475 | Cyclohex-2-ene-1,2-dicarboxylic acid...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CCCC=C2C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C23H26N4O2/c24-21(25)18-12-10-17(11-13-18)15-27-23(29)20-9-5-4-8-19(20)22(28)26-14-16-6-2-1-3-7-16/h1-3,6-8,10-13,20H,4-5,9,14-15H2,(H3,24,25)(H,26,28)(H,27,29)
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n/an/a 1.09E+5n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50125871
PNG
(CHEMBL17646 | Cyclopent-2-ene-1,2-dicarboxylic aci...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CCC=C2C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H24N4O2/c23-20(24)17-11-9-16(10-12-17)14-26-22(28)19-8-4-7-18(19)21(27)25-13-15-5-2-1-3-6-15/h1-3,5-7,9-12,19H,4,8,13-14H2,(H3,23,24)(H,25,27)(H,26,28)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50125874
PNG
(2-(Piperidine-1-carbonyl)-cyclopent-2-enecarboxyli...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CCC=C2C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N4O2/c21-18(22)15-9-7-14(8-10-15)13-23-19(25)16-5-4-6-17(16)20(26)24-11-2-1-3-12-24/h6-10,16H,1-5,11-13H2,(H3,21,22)(H,23,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50087838
PNG
(CHEMBL3426802)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3C(F)(F)F)cc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C31H31F3O4/c1-29(2)13-22(35)27-24(15-29)38-25-16-30(3,4)14-23(36)28(25)26(27)18-9-11-20(12-10-18)37-17-19-7-5-6-8-21(19)31(32,33)34/h5-12,26H,13-17H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human delta opioid receptor-1 expressed in CHO cells assessed as potentiation of leu-enkephalin-induced response af...


J Med Chem 58: 4220-9 (2015)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (human))
BDBM50125846
PNG
(2-(Piperidine-1-carbonyl)-cyclohex-2-enecarboxylic...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2CCCC=C2C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H28N4O2/c22-19(23)16-10-8-15(9-11-16)14-24-20(26)17-6-2-3-7-18(17)21(27)25-12-4-1-5-13-25/h7-11,17H,1-6,12-14H2,(H3,22,23)(H,24,26)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)

More data for this
Ligand-Target Pair