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13 similar compounds to monomer 19054

Wt: 508.9
BDBM19058
Wt: 504.5
BDBM19061
Wt: 502.5
BDBM19063
Wt: 510.5
BDBM19065
Wt: 524.5
BDBM19068
Wt: 550.6
BDBM19069
Wt: 488.5
BDBM19070
Wt: 552.6
BDBM19071
Wt: 489.5
BDBM19073
Wt: 474.5
BDBM19053
Wt: 440.5
BDBM19055
Wt: 460.5
BDBM19056
Wt: 489.5
BDBM19057

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 19058,19061,19063,19065,19068,19069,19070,19071,19073,19053,19055,19056,19057   
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
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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n/an/a 4.33E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha1beta1


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha5beta1


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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n/an/a 50n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19069
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-phe...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O6S/c33-26(31-24(27(34)35)19-30-28(36)29-18-20-8-3-1-4-9-20)25-12-7-17-32(25)39(37,38)23-15-13-22(14-16-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,31,33)(H,34,35)(H2,29,30,36)/t24-,25-/m0/s1
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n/an/a 287n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19070
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-met...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N4O6S/c1-16-9-11-18(12-10-16)34(32,33)27-13-5-8-20(27)21(28)26-19(22(29)30)15-25-23(31)24-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20-/m0/s1
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n/an/a 36n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha5beta1


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha5beta1


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha5beta1


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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n/an/a 138n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha1beta1


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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n/an/a 89n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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PubMed
n/an/a 177n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha1beta1


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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PubMed
n/an/a 15n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19055
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES CC(C)(C)NC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H28N4O6S/c1-19(2,3)22-18(27)20-12-14(17(25)26)21-16(24)15-10-7-11-23(15)30(28,29)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,21,24)(H,25,26)(H2,20,22,27)/t14-,15?/m0/s1
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n/an/a 185n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19056
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)Nc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O6S/c26-19(18-12-7-13-25(18)32(30,31)16-10-5-2-6-11-16)24-17(20(27)28)14-22-21(29)23-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2,(H,24,26)(H,27,28)(H2,22,23,29)/t17-,18?/m0/s1
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n/an/a 296n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 23n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19058
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1Cl)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H25ClN4O6S/c23-17-10-5-4-7-15(17)13-24-22(31)25-14-18(21(29)30)26-20(28)19-11-6-12-27(19)34(32,33)16-8-2-1-3-9-16/h1-5,7-10,18-19H,6,11-14H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 107n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19061
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES COc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C23H28N4O7S/c1-34-17-11-9-16(10-12-17)14-24-23(31)25-15-19(22(29)30)26-21(28)20-8-5-13-27(20)35(32,33)18-6-3-2-4-7-18/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20?/m0/s1
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n/an/a 108n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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n/an/a 29n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19065
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H24F2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1
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n/an/a 35n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19073
PNG
((2S)-2-{[(2S)-1-[(4-aminobenzene)sulfonyl]pyrrolid...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H27N5O6S/c23-16-8-10-17(11-9-16)34(32,33)27-12-4-7-19(27)20(28)26-18(21(29)30)14-25-22(31)24-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19-/m0/s1
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n/an/a 144n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha1beta1


(Homo sapiens (human))
BDBM19068
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-(naphth...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1
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n/an/an/an/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 102n/an/an/an/a7.437



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (human))
BDBM19053
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N4O6S/c27-20(19-12-7-13-26(19)33(31,32)17-10-5-2-6-11-17)25-18(21(28)29)15-24-22(30)23-14-16-8-3-1-4-9-16/h1-6,8-11,18-19H,7,12-15H2,(H,25,27)(H,28,29)(H2,23,24,30)/t18-,19?/m0/s1
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n/an/a 2.13E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (human))
BDBM19057
PNG
((2S)-3-({[(4-aminophenyl)methyl]carbamoyl}amino)-2...)
Show SMILES Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H27N5O6S/c23-16-10-8-15(9-11-16)13-24-22(31)25-14-18(21(29)30)26-20(28)19-7-4-12-27(19)34(32,33)17-5-2-1-3-6-17/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19?/m0/s1
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n/an/a 1.97E+3n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (human))
BDBM19063
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H30N4O6S/c1-16-11-17(2)13-19(12-16)35(33,34)28-10-6-9-21(28)22(29)27-20(23(30)31)15-26-24(32)25-14-18-7-4-3-5-8-18/h3-5,7-8,11-13,20-21H,6,9-10,14-15H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)/t20-,21-/m0/s1
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n/an/a 770n/an/an/an/a7.037



University of Pennsylvania



Assay Description
The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2beta1


(Homo sapiens (human))
BDBM19071
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-met...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N4O8S2/c1-36(32,33)17-9-11-18(12-10-17)37(34,35)27-13-5-8-20(27)21(28)26-19(22(29)30)15-25-23(31)24-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,26,28)(H,29,30)(H2,24,25,31)/t19-,20-/m0/s1
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n/an/a 70n/an/an/an/a7.437



University of Pennsylvania



Assay Description
Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...


J Med Chem 50: 5457-62 (2007)

More data for this
Ligand-Target Pair