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Compile Data Set for Download or QSAR

Found 567 hits of ic50 data for polymerid = 50001612,8441   
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
Kallikrein 1


(Homo sapiens (Human))
BDBM345078
PNG
(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
PDB

UniProtKB/SwissProt

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n/an/a 0.700n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345057
PNG
(4-{[(2R)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...)
PDB

UniProtKB/SwissProt

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n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345061
PNG
(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1- oxi...)
PDB

UniProtKB/SwissProt

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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345063
PNG
(4-{[(2R)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...)
PDB

UniProtKB/SwissProt

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n/an/a 3.40n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345074
PNG
(US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...)
PDB

UniProtKB/SwissProt

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n/an/a 9.20n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345099
PNG
(4-[(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1-...)
PDB

UniProtKB/SwissProt

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n/an/a 17.6n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345059
PNG
(4-({(2R)-2-[5-(3-chloro- 2,6-difluorophenyl)-1- ox...)
PDB

UniProtKB/SwissProt

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n/an/a 18.2n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345082
PNG
(4-{[(2R)-2-{5-[5-chloro-2- (1H-tetrazol-1-yl)pheny...)
PDB

UniProtKB/SwissProt

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n/an/a 23.8n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345078
PNG
(2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
PDB

UniProtKB/SwissProt

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n/an/a 24.6n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345105
PNG
(4-[(2-{5-[3-chloro-2- fluoro-6-(1H-tetrazol-1- yl)...)
PDB

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n/an/a 25.1n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345080
PNG
(2-(1-((4-carboxyphenyl)amino)-1-oxo-3-phenylpropan...)
PDB

UniProtKB/SwissProt

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n/an/a 42.3n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345070
PNG
(4-({2-[5-(3-chloro-2,6- difluorophenyl)-1- oxidopy...)
PDB

UniProtKB/SwissProt

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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345062
PNG
(4-{[(2S)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...)
PDB

UniProtKB/SwissProt

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n/an/a 67.1n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345084
PNG
(4-({2-[5-(3-chloro-6- cyano-2-fluorophenyl)-1- oxi...)
PDB

UniProtKB/SwissProt

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n/an/a 80.4n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345056
PNG
(4-{[(2S)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...)
PDB

UniProtKB/SwissProt

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n/an/a 83.1n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345103
PNG
(4-[(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1-...)
PDB

UniProtKB/SwissProt

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n/an/a 83.1n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345096
PNG
(4-{[2-(5-{5-chloro-2-[4- (difluoromethyl)-1H-1,2,3...)
PDB

UniProtKB/SwissProt

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n/an/a 85.6n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345060
PNG
(2-[5-(3-chloro-2,6- difluorophenyl)-1- oxidopyridi...)
PDB

UniProtKB/SwissProt

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n/an/a 91.4n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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n/an/a 97n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


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


(Homo sapiens (Human))
BDBM345072
PNG
(4-[(2-{5-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1...)
PDB

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n/an/a 144n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200014
PNG
(US9234000, 5)
Show SMILES CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C28H34N4O3/c1-2-35-24-14-12-21(13-15-24)16-25(30)27(33)32-26(17-20-6-4-3-5-7-20)28(34)31-19-23-10-8-22(18-29)9-11-23/h3-15,25-26H,2,16-19,29-30H2,1H3,(H,31,34)(H,32,33)/t25-,26+/m1/s1
PDB

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US Patent
n/an/a 160n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
PDB

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n/an/a 190n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50114479
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C26H22N4O4S/c27-25(28)19-6-5-7-20(16-19)34-23-10-3-2-9-22(23)30-26(31)18-14-12-17(13-15-18)21-8-1-4-11-24(21)35(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
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n/an/a 250n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against kallikrein


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187110
PNG
(US9670157, 124 3-Methyl-1-(2-methyl-quinolin-6-ylm...)
Show SMILES Cc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-15-31(30-19(24)4)14-20-6-8-25-22(11-20)7-5-18(3)29-25/h5-11,15H,12-14,27H2,1-4H3,(H,28,32)
PDB

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US Patent
n/an/a 301n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


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


(Homo sapiens (Human))
BDBM345096
PNG
(4-{[2-(5-{5-chloro-2-[4- (difluoromethyl)-1H-1,2,3...)
PDB

UniProtKB/SwissProt

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n/an/a 363n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345089
PNG
(4-[(2-{5-[5-chloro-2-(1,3- oxazol-5-yl)phenyl]-1- ...)
PDB

UniProtKB/SwissProt

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n/an/a 408n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM163554
PNG
(US9687479, 332 1-[(2-methoxyphenyl)carbonyl]-3-(py...)
Show SMILES COc1ccccc1C(=O)n1nc(nc1NCc1nccs1)-c1ccccn1
Show InChI InChI=1S/C19H16N6O2S/c1-27-15-8-3-2-6-13(15)18(26)25-19(22-12-16-21-10-11-28-16)23-17(24-25)14-7-4-5-9-20-14/h2-11H,12H2,1H3,(H,22,23,24)
PDB

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US Patent
n/an/a 550n/an/an/an/a7.537



VERSEON CORPORATION

US Patent


Assay Description
Recombinant human tissue kallikrein (KLK1) was obtained from R&D Systems. Pro-Phe-Arg-AMC (I-1295) substrate was obtained from Bachem. KLK1 enzyme is...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187112
PNG
(US9670157, 126 1-(2-Methyl-quinolin-6-ylmethyl)-3-...)
Show SMILES Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C26H26F3N5O/c1-15-8-19(11-30)9-16(2)21(15)12-31-25(35)22-14-34(33-24(22)26(27,28)29)13-18-5-7-23-20(10-18)6-4-17(3)32-23/h4-10,14H,11-13,30H2,1-3H3,(H,31,35)
PDB

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US Patent
n/an/a 566n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
PDB

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n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Kallikrein.


Bioorg Med Chem Lett 6: 679-682 (1996)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM187111
PNG
(US9670157, 125 5-Methyl-1-(2-methyl-quinolin-6-ylm...)
Show SMILES Cc1c(cnn1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1c(C)cc(CN)cc1C
Show InChI InChI=1S/C26H29N5O/c1-16-9-21(12-27)10-17(2)23(16)13-28-26(32)24-14-29-31(19(24)4)15-20-6-8-25-22(11-20)7-5-18(3)30-25/h5-11,14H,12-13,15,27H2,1-4H3,(H,28,32)
PDB

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US Patent
n/an/a 657n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


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


(Homo sapiens (Human))
BDBM345108
PNG
(4-[(2-{5-[5-chloro-2-(1H- 1,2,3-triazol-1-yl)pheny...)
PDB

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n/an/a 678n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345086
PNG
(3-chloro-4-[(2-{5-[5- chloro-2-(1H-tetrazol-1- yl)...)
PDB

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n/an/a 692n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM345093
PNG
(4-[(2-{5-[5-chloro-2- (trifluoromethoxy)phenyl]- 1...)
PDB

UniProtKB/SwissProt

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n/an/a 830n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM263308
PNG
(3-cyclopropyl-1-(4-methoxy-6-pyrrolidin-1-yl-pyrid...)
Show SMILES COc1cc(ncc1Cn1cc(C(=O)NCc2ccc3c(N)nccc3c2)c(n1)C1CC1)N1CCCC1
PDB

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n/an/a 960n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




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


(Homo sapiens (Human))
BDBM263287
PNG
(1-(5-pyrrolidin-1-yl-pyrazin-2-ylmethyl)-3-trifluo...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(cn4)N4CCCC4)nc3C(F)(F)F)ccc12
PDB

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n/an/a 960n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




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


(Homo sapiens (Human))
BDBM263298
PNG
(1-(4-pyrazol-1-ylmethyl-benzyl)-3-trifluoromethyl-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4ccc(Cn5cccn5)cc4)nc3C(F)(F)F)ccc12
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200010
PNG
(US9234000, 1)
Show SMILES CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)C(=O)CC)cc1
Show InChI InChI=1S/C31H38N4O4/c1-3-30(37)35(34-22-27(36)18-24-14-16-28(17-15-24)39-4-2)29(19-23-8-6-5-7-9-23)31(38)33-21-26-12-10-25(20-32)11-13-26/h5-17,29,34H,3-4,18-22,32H2,1-2H3,(H,33,38)/t29-/m0/s1
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200018
PNG
(US9234000, 9)
Show SMILES CN(C)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
Show InChI InChI=1S/C28H40N4O2/c1-32(2)26(18-22-11-7-4-8-12-22)28(34)31-25(17-21-9-5-3-6-10-21)27(33)30-20-24-15-13-23(19-29)14-16-24/h3,5-6,9-10,13-16,22,25-26H,4,7-8,11-12,17-20,29H2,1-2H3,(H,30,33)(H,31,34)/t25-,26+/m0/s1
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200016
PNG
(US9234000, 7)
Show SMILES CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)C(=O)CC)cc1
Show InChI InChI=1S/C31H37FN4O4/c1-3-30(38)36(35-21-26(37)16-23-11-14-27(15-12-23)40-4-2)29(18-22-8-6-5-7-9-22)31(39)34-20-24-10-13-25(19-33)28(32)17-24/h5-15,17,29,35H,3-4,16,18-21,33H2,1-2H3,(H,34,39)/t29-/m0/s1
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200017
PNG
(US9234000, 8)
Show SMILES NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CC2CCCCC2)cc1
Show InChI InChI=1S/C26H36N4O2/c27-17-21-11-13-22(14-12-21)18-29-26(32)24(16-20-9-5-2-6-10-20)30-25(31)23(28)15-19-7-3-1-4-8-19/h2,5-6,9-14,19,23-24H,1,3-4,7-8,15-18,27-28H2,(H,29,32)(H,30,31)/t23-,24+/m1/s1
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200015
PNG
(US9234000, 6)
Show SMILES CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
Show InChI InChI=1S/C28H33FN4O3/c1-2-36-23-12-9-20(10-13-23)15-25(31)27(34)33-26(16-19-6-4-3-5-7-19)28(35)32-18-21-8-11-22(17-30)24(29)14-21/h3-14,25-26H,2,15-18,30-31H2,1H3,(H,32,35)(H,33,34)/t25-,26+/m1/s1
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Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


Citation and Details
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200093
PNG
(US9234000, 84)
Show SMILES CCOc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
Show InChI InChI=1S/C34H37ClN4O5S/c1-2-44-29-16-12-25(13-17-29)21-32(39-45(42,43)30-18-14-28(35)15-19-30)34(41)38-31(20-24-6-4-3-5-7-24)33(40)37-23-27-10-8-26(22-36)9-11-27/h3-19,31-32,39H,2,20-23,36H2,1H3,(H,37,40)(H,38,41)/t31-,32+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


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


(Homo sapiens (Human))
BDBM263327
PNG
(1-(6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES FC(F)(F)c1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1cnc2[nH]ccc2c1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




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


(Homo sapiens (Human))
BDBM263297
PNG
(1-(6-ethoxy-5-fluoro-pyridin-3-ylmethyl)-3-trifluo...)
Show SMILES CCOc1ncc(Cn2cc(C(=O)NCc3ccc4c(N)nccc4c3)c(n2)C(F)(F)F)cc1F
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




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


(Homo sapiens (Human))
BDBM345069
PNG
(4-[({5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1- o...)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


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


(Homo sapiens (Human))
BDBM263295
PNG
(1-(5-fluoro-6-pyrrolidin-1-yl-pyridin-3-ylmethyl)-...)
Show SMILES Nc1nccc2cc(CNC(=O)c3cn(Cc4cnc(N5CCCC5)c(F)c4)nc3C(F)(F)F)ccc12
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n/an/a 1.57E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent




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


(Homo sapiens (Human))
BDBM345064
PNG
(4-({[5-(3-chloro-2,6- difluorophenyl)-1- oxidopyri...)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM200027
PNG
(US9234000, 18)
Show SMILES NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](N)Cc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H27Cl2F3N4O2/c28-21-10-7-19(11-22(21)29)13-24(26(38)35-15-18-3-1-17(14-33)2-4-18)36-25(37)23(34)12-16-5-8-20(9-6-16)27(30,31)32/h1-11,23-24H,12-15,33-34H2,(H,35,38)(H,36,37)/t23-,24+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


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


(Homo sapiens (Human))
BDBM345097
PNG
(4-{[2-(5-{5-chloro-2-[4- (hydroxymethyl)-1H-1,2,3-...)
PDB

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n/an/a 1.61E+3n/an/an/an/an/an/a



Abbott Laboratories





Bioorg Med Chem Lett 16: 2293-8 (2006)

More data for this
Ligand-Target Pair
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