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23 similar compounds to monomer 50017132

Wt: 449.5
BDBM50004604
Wt: 631.8
BDBM50031388
Wt: 631.8
BDBM50031390
Wt: 631.8
BDBM50031391
Wt: 631.8
BDBM50031396
Wt: 603.7
BDBM50031401
Purchase
Wt: 631.8
BDBM50031415
Wt: 617.7
BDBM50031417
Purchase
Wt: 588.7
BDBM50031419
Wt: 617.7
BDBM50031431
Wt: 702.8
BDBM50031433
Wt: 448.5
BDBM50037571
Wt: 545.6
BDBM50037573
Purchase
Wt: 545.6
BDBM50037574
Purchase
Wt: 374.4
BDBM50064652
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50004604,50031388,50031390,50031391,50031396,50031401,50031415,50031417,50031419,50031431,50031433,50037571,50037573,50037574,50064652   
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
NPFF2


(RAT)
BDBM50037573
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
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15.5n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity for NPPF receptor in rat spinal cord membranes using the radioligand [125I]-[Tyr1]NPFF


Citation and Details
More data for this
Ligand-Target Pair
NPFF2


(RAT)
BDBM50037574
PNG
((S)-2-[((R)-Pyrrolidine-2-carbonyl)-amino]-pentane...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17+,18+,19+/m1/s1
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94n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity for NPPF receptor in rat spinal cord membranes using the radioligand [125I]-[Tyr1]NPFF


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50064652
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C19H30N6O2/c20-15(13-14-7-2-1-3-8-14)18(27)25-12-6-9-16(25)17(26)23-10-4-5-11-24-19(21)22/h1-3,7-8,15-16H,4-6,9-13,20H2,(H,23,26)(H4,21,22,24)/t15-,16+/m1/s1
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180n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of thrombin


J Med Chem 41: 2068-75 (1998)

More data for this
Ligand-Target Pair
NPFF2


(RAT)
BDBM50037571
PNG
((S)-2-Amino-pentanedioic acid 5-amide 1-{[(S)-1-((...)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C20H32N8O4/c21-13(8-9-16(22)29)18(31)27-14(7-4-10-26-20(24)25)19(32)28-15(17(23)30)11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,21H2,(H2,22,29)(H2,23,30)(H,27,31)(H,28,32)(H4,24,25,26)/t13-,14-,15-/m0/s1
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300n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity for NPPF receptor in rat spinal cord membranes using the radioligand [125I]-[Tyr1]NPFF


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein 1


(Sus scrofa)
BDBM50004604
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C20H31N7O5/c1-12(29)25-15(10-13-6-3-2-4-7-13)19(32)26-14(8-5-9-24-20(22)23)18(31)27-16(11-28)17(21)30/h2-4,6-7,14-16,28H,5,8-11H2,1H3,(H2,21,30)(H,25,29)(H,26,32)(H,27,31)(H4,22,23,24)/t14-,15-,16-/m0/s1
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7.18E+5n/an/an/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031417
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H51N9O5/c1-17(2)14-22(27(42)36-21(25(32)40)12-9-13-35-30(33)34)38-28(43)23(15-18(3)4)39-29(44)24(37-26(41)19(5)31)16-20-10-7-6-8-11-20/h6-8,10-11,17-19,21-24H,9,12-16,31H2,1-5H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H,39,44)(H4,33,34,35)/t19-,21-,22-,23-,24-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031415
PNG
((S)-2-[(S)-2-(2-Amino-2-methyl-propionylamino)-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C31H53N9O5/c1-18(2)15-22(26(42)37-21(25(32)41)13-10-14-36-30(33)34)38-27(43)23(16-19(3)4)39-28(44)24(40-29(45)31(5,6)35)17-20-11-8-7-9-12-20/h7-9,11-12,18-19,21-24H,10,13-17,35H2,1-6H3,(H2,32,41)(H,37,42)(H,38,43)(H,39,44)(H,40,45)(H4,33,34,36)/t21-,22-,23-,24-/m0/s1
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n/an/an/an/a 4.15E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031419
PNG
((S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C29H48N8O5/c1-17(2)14-22(26(40)35-21(25(30)39)12-9-13-33-29(31)32)36-27(41)23(15-18(3)4)37-28(42)24(34-19(5)38)16-20-10-7-6-8-11-20/h6-8,10-11,17-18,21-24H,9,12-16H2,1-5H3,(H2,30,39)(H,34,38)(H,35,40)(H,36,41)(H,37,42)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
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n/an/an/an/a 2.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031431
PNG
((S)-2-[(S)-2-(3-Amino-propionylamino)-3-phenyl-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H51N9O5/c1-18(2)15-22(27(42)37-21(26(32)41)11-8-14-35-30(33)34)38-28(43)23(16-19(3)4)39-29(44)24(36-25(40)12-13-31)17-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-24H,8,11-17,31H2,1-4H3,(H2,32,41)(H,36,40)(H,37,42)(H,38,43)(H,39,44)(H4,33,34,35)/t21-,22-,23-,24-/m0/s1
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n/an/an/an/a 3.50E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031433
PNG
((S)-2-Amino-5-guanidino-pentanoic acid ((S)-1-{(S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C33H58N12O5/c1-19(2)16-24(29(48)42-23(27(35)46)13-9-15-41-33(38)39)44-30(49)25(17-20(3)4)45-31(50)26(18-21-10-6-5-7-11-21)43-28(47)22(34)12-8-14-40-32(36)37/h5-7,10-11,19-20,22-26H,8-9,12-18,34H2,1-4H3,(H2,35,46)(H,42,48)(H,43,47)(H,44,49)(H,45,50)(H4,36,37,40)(H4,38,39,41)/t22-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a>1.20E+6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50064652
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C19H30N6O2/c20-15(13-14-7-2-1-3-8-14)18(27)25-12-6-9-16(25)17(26)23-10-4-5-11-24-19(21)22/h1-3,7-8,15-16H,4-6,9-13,20H2,(H,23,26)(H4,21,22,24)/t15-,16+/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of human alpha thrombin


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031401
PNG
((S)-2-[(S)-2-(2-Amino-acetylamino)-3-phenyl-propio...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C29H49N9O5/c1-17(2)13-21(26(41)36-20(25(31)40)11-8-12-34-29(32)33)37-27(42)22(14-18(3)4)38-28(43)23(35-24(39)16-30)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-23H,8,11-16,30H2,1-4H3,(H2,31,40)(H,35,39)(H,36,41)(H,37,42)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031396
PNG
((S)-2-[(S)-2-(4-Amino-butyrylamino)-3-phenyl-propi...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C31H53N9O5/c1-19(2)16-23(28(43)38-22(27(33)42)12-9-15-36-31(34)35)39-29(44)24(17-20(3)4)40-30(45)25(37-26(41)13-8-14-32)18-21-10-6-5-7-11-21/h5-7,10-11,19-20,22-25H,8-9,12-18,32H2,1-4H3,(H2,33,42)(H,37,41)(H,38,43)(H,39,44)(H,40,45)(H4,34,35,36)/t22-,23-,24-,25-/m0/s1
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n/an/an/an/a 7.30E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031390
PNG
((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C31H53N9O5/c1-18(2)15-22(38-29(44)23(37-27(42)20(5)32)17-21-11-8-7-9-12-21)28(43)39-24(16-19(3)4)30(45)40(6)25(26(33)41)13-10-14-36-31(34)35/h7-9,11-12,18-20,22-25H,10,13-17,32H2,1-6H3,(H2,33,41)(H,37,42)(H,38,44)(H,39,43)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1
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n/an/an/an/a 8.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031391
PNG
((S)-4-Methyl-2-[(S)-2-((S)-2-methylamino-propionyl...)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C31H53N9O5/c1-18(2)15-23(28(43)37-22(26(32)41)13-10-14-36-31(33)34)39-29(44)24(16-19(3)4)40-30(45)25(38-27(42)20(5)35-6)17-21-11-8-7-9-12-21/h7-9,11-12,18-20,22-25,35H,10,13-17H2,1-6H3,(H2,32,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,33,34,36)/t20-,22-,23-,24-,25-/m0/s1
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n/an/an/an/a 6.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031388
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C31H53N9O5/c1-18(2)15-24(39-28(43)23(38-27(42)20(5)32)17-21-11-8-7-9-12-21)30(45)40(6)25(16-19(3)4)29(44)37-22(26(33)41)13-10-14-36-31(34)35/h7-9,11-12,18-20,22-25H,10,13-17,32H2,1-6H3,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1
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n/an/an/an/a 2.60E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1 (PAR1)


(Homo sapiens (Human))
BDBM50031431
PNG
((S)-2-[(S)-2-(3-Amino-propionylamino)-3-phenyl-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H51N9O5/c1-18(2)15-22(27(42)37-21(26(32)41)11-8-14-35-30(33)34)38-28(43)23(16-19(3)4)39-29(44)24(36-25(40)12-13-31)17-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-24H,8,11-17,31H2,1-4H3,(H2,32,41)(H,36,40)(H,37,42)(H,38,43)(H,39,44)(H4,33,34,35)/t21-,22-,23-,24-/m0/s1
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n/an/an/an/a 1.17E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of platelet aggregation


J Med Chem 39: 4879-87 (1997)

More data for this
Ligand-Target Pair