Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152791
((S)-2-((1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]he...)Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc3CCCNc3n1)C(O)=O)C(=O)C2 |TLB:35:34:1:5.4| Show InChI InChI=1S/C26H38N4O6S/c1-25(2)18-11-12-26(25,21(31)14-18)16-37(35,36)30-20(24(33)34)15-28-22(32)8-4-3-7-19-10-9-17-6-5-13-27-23(17)29-19/h9-10,18,20,30H,3-8,11-16H2,1-2H3,(H,27,29)(H,28,32)(H,33,34)/t18-,20+,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha v beta 3 receptor binding |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152785
((S)-2-Benzenesulfonylamino-3-(5-5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CNC(=O)CCCCc1ccc2CCCNc2n1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H28N4O5S/c27-20(11-5-4-8-17-13-12-16-7-6-14-23-21(16)25-17)24-15-19(22(28)29)26-32(30,31)18-9-2-1-3-10-18/h1-3,9-10,12-13,19,26H,4-8,11,14-15H2,(H,23,25)(H,24,27)(H,28,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha v beta 3 receptor binding |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152786
((S)-3-(5-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc2CCCNc2n1)C(O)=O Show InChI InChI=1S/C23H30N4O5S/c1-16-8-12-19(13-9-16)33(31,32)27-20(23(29)30)15-25-21(28)7-3-2-6-18-11-10-17-5-4-14-24-22(17)26-18/h8-13,20,27H,2-7,14-15H2,1H3,(H,24,26)(H,25,28)(H,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha v beta 3 receptor binding |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152778
((S)-2-Benzyloxycarbonylamino-3-(5-5,6,7,8-tetrahyd...)Show SMILES OC(=O)[C@H](CNC(=O)CCCCc1ccc2CCCNc2n1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C24H30N4O5/c29-21(11-5-4-10-19-13-12-18-9-6-14-25-22(18)27-19)26-15-20(23(30)31)28-24(32)33-16-17-7-2-1-3-8-17/h1-3,7-8,12-13,20H,4-6,9-11,14-16H2,(H,25,27)(H,26,29)(H,28,32)(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha v beta 3 receptor binding |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152781
((S)-2-((1S,4R)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]he...)Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CCCCCCCc1ccc3CCCNc3n1)C(O)=O)C(=O)C2 |TLB:34:33:1:5.4| Show InChI InChI=1S/C27H41N3O5S/c1-26(2)20-14-15-27(26,23(31)17-20)18-36(34,35)30-22(25(32)33)11-7-5-3-4-6-10-21-13-12-19-9-8-16-28-24(19)29-21/h12-13,20,22,30H,3-11,14-18H2,1-2H3,(H,28,29)(H,32,33)/t20-,22+,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152780
((S)-2-(Butane-1-sulfonylamino)-3-(5-5,6,7,8-tetrah...)Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)CCCCc1ccc2CCCNc2n1)C(O)=O Show InChI InChI=1S/C20H32N4O5S/c1-2-3-13-30(28,29)24-17(20(26)27)14-22-18(25)9-5-4-8-16-11-10-15-7-6-12-21-19(15)23-16/h10-11,17,24H,2-9,12-14H2,1H3,(H,21,23)(H,22,25)(H,26,27)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha v beta 3 receptor binding |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152787
((S)-2-(3-Benzyl-ureido)-9-(5,6,7,8-tetrahydro-[1,8...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)NCc1ccccc1 Show InChI InChI=1S/C25H34N4O3/c30-24(31)22(29-25(32)27-18-19-10-5-4-6-11-19)14-8-3-1-2-7-13-21-16-15-20-12-9-17-26-23(20)28-21/h4-6,10-11,15-16,22H,1-3,7-9,12-14,17-18H2,(H,26,28)(H,30,31)(H2,27,29,32)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152790
((S)-2-Benzyloxycarbonylamino-9-(5,6,7,8-tetrahydro...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c29-24(30)22(28-25(31)32-18-19-10-5-4-6-11-19)14-8-3-1-2-7-13-21-16-15-20-12-9-17-26-23(20)27-21/h4-6,10-11,15-16,22H,1-3,7-9,12-14,17-18H2,(H,26,27)(H,28,31)(H,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152783
((S)-2-Benzenesulfonylamino-9-(5,6,7,8-tetrahydro-[...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31N3O4S/c27-23(28)21(26-31(29,30)20-12-6-4-7-13-20)14-8-3-1-2-5-11-19-16-15-18-10-9-17-24-22(18)25-19/h4,6-7,12-13,15-16,21,26H,1-3,5,8-11,14,17H2,(H,24,25)(H,27,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152782
((S)-2-Cyclohexylmethanesulfonylamino-9-(5,6,7,8-te...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NS(=O)(=O)CC1CCCCC1 Show InChI InChI=1S/C24H39N3O4S/c28-24(29)22(27-32(30,31)18-19-10-5-4-6-11-19)14-8-3-1-2-7-13-21-16-15-20-12-9-17-25-23(20)26-21/h15-16,19,22,27H,1-14,17-18H2,(H,25,26)(H,28,29)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152779
((S)-2-(Butane-1-sulfonylamino)-9-(5,6,7,8-tetrahyd...)Show SMILES CCCCS(=O)(=O)N[C@@H](CCCCCCCc1ccc2CCCNc2n1)C(O)=O Show InChI InChI=1S/C21H35N3O4S/c1-2-3-16-29(27,28)24-19(21(25)26)12-8-6-4-5-7-11-18-14-13-17-10-9-15-22-20(17)23-18/h13-14,19,24H,2-12,15-16H2,1H3,(H,22,23)(H,25,26)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152789
((S)-2-Phenylmethanesulfonylamino-9-(5,6,7,8-tetrah...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C24H33N3O4S/c28-24(29)22(27-32(30,31)18-19-10-5-4-6-11-19)14-8-3-1-2-7-13-21-16-15-20-12-9-17-25-23(20)26-21/h4-6,10-11,15-16,22,27H,1-3,7-9,12-14,17-18H2,(H,25,26)(H,28,29)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 34.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152784
((S)-2-Cyclohexanesulfonylamino-9-(5,6,7,8-tetrahyd...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NS(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C23H37N3O4S/c27-23(28)21(26-31(29,30)20-12-6-4-7-13-20)14-8-3-1-2-5-11-19-16-15-18-10-9-17-24-22(18)25-19/h15-16,20-21,26H,1-14,17H2,(H,24,25)(H,27,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152788
((S)-2-Phenylacetylamino-9-(5,6,7,8-tetrahydro-[1,8...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C25H33N3O3/c29-23(18-19-10-5-4-6-11-19)28-22(25(30)31)14-8-3-1-2-7-13-21-16-15-20-12-9-17-26-24(20)27-21/h4-6,10-11,15-16,22H,1-3,7-9,12-14,17-18H2,(H,26,27)(H,28,29)(H,30,31)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152792
((S)-2-Benzoylamino-9-(5,6,7,8-tetrahydro-[1,8]naph...)Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c28-23(19-10-5-4-6-11-19)27-21(24(29)30)14-8-3-1-2-7-13-20-16-15-18-12-9-17-25-22(18)26-20/h4-6,10-11,15-16,21H,1-3,7-9,12-14,17H2,(H,25,26)(H,27,28)(H,29,30)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 71.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of binding to alpha v beta 3 receptor |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50152777
((S)-2-Benzoylamino-3-(5-5,6,7,8-tetrahydro-[1,8]na...)Show SMILES OC(=O)[C@H](CNC(=O)CCCCc1ccc2CCCNc2n1)NC(=O)c1ccccc1 Show InChI InChI=1S/C23H28N4O4/c28-20(11-5-4-10-18-13-12-16-9-6-14-24-21(16)26-18)25-15-19(23(30)31)27-22(29)17-7-2-1-3-8-17/h1-3,7-8,12-13,19H,4-6,9-11,14-15H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of alpha v beta 3 receptor binding |
Bioorg Med Chem Lett 14: 4411-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.068
BindingDB Entry DOI: 10.7270/Q2PZ5B0H |
More data for this
Ligand-Target Pair | |
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