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6 similar compounds to monomer 19056

Wt: 489.5
BDBM19073
Wt: 531.5
BDBM19074
Wt: 608.6
BDBM19075
Wt: 426.4
BDBM19054
Wt: 440.5
BDBM19055
Wt: 489.5
BDBM19057

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 19073,19074,19075,19054,19055,19057   
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 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 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))
BDBM19054
PNG
((2S)-2-{[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]f...)
Show SMILES CCCNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H26N4O6S/c1-2-10-19-18(26)20-12-14(17(24)25)21-16(23)15-9-6-11-22(15)29(27,28)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,21,23)(H,24,25)(H2,19,20,26)/t14-,15?/m0/s1
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n/an/a 357n/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 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 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 alpha2beta1


(Homo sapiens (human))
BDBM19074
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(4-ace...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H29N5O7S/c1-16(30)27-18-9-11-19(12-10-18)37(35,36)29-13-5-8-21(29)22(31)28-20(23(32)33)15-26-24(34)25-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-15H2,1H3,(H,27,30)(H,28,31)(H,32,33)(H2,25,26,34)/t20-,21-/m0/s1
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n/an/a 131n/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))
BDBM19075
PNG
((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-({4-[(p...)
Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H32N6O7S/c36-26(34-24(27(37)38)19-31-28(39)30-18-20-8-3-1-4-9-20)25-12-7-17-35(25)43(41,42)23-15-13-22(14-16-23)33-29(40)32-21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,36)(H,37,38)(H2,30,31,39)(H2,32,33,40)/t24-,25-/m0/s1
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PubMed
n/an/a 151n/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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PubMed
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 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