Found 3 hits for monomerid = 50199407 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50199407
(CHEMBL3902668 | US10131658, Compound 202)Show SMILES NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,wU:18.18,7.10,4.3,wD:22.22,(45.31,-17.29,;45.36,-15.75,;46.72,-15.02,;44.05,-14.93,;42.69,-15.66,;42.64,-17.2,;41.29,-17.92,;39.98,-17.11,;40.02,-15.57,;41.38,-14.85,;38.64,-17.84,;38.59,-19.38,;37.32,-17.03,;35.97,-17.76,;35.92,-19.3,;34.56,-20.03,;33.26,-19.21,;31.9,-19.94,;31.85,-21.48,;30.49,-22.21,;29.18,-21.4,;29.23,-19.86,;27.83,-22.13,;27.34,-23.59,;25.8,-23.6,;25.33,-22.13,;26.58,-21.22,;26.57,-19.68,;27.66,-18.58,;28.07,-20.07,;25.24,-18.91,;25.25,-17.38,;23.92,-16.61,;22.59,-17.38,;22.59,-18.92,;23.92,-19.68,;33.16,-22.29,;34.52,-21.56,;33.11,-23.83,;33.3,-17.68,;34.65,-16.95,)| Show InChI InChI=1S/C28H36N6O6S/c29-28(30)32-21-14-10-19(11-15-21)25(35)31-20-12-8-18(9-13-20)17-23(27(37)38)33-26(36)24-7-4-16-34(24)41(39,40)22-5-2-1-3-6-22/h1-3,5-6,8-9,12-13,19,21,23-24H,4,7,10-11,14-17H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t19-,21+,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub... |
ACS Med Chem Lett 7: 902-907 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4 |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1 [T112H]
(Homo sapiens (Human)) | BDBM50199407
(CHEMBL3902668 | US10131658, Compound 202)Show SMILES NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,wU:18.18,7.10,4.3,wD:22.22,(45.31,-17.29,;45.36,-15.75,;46.72,-15.02,;44.05,-14.93,;42.69,-15.66,;42.64,-17.2,;41.29,-17.92,;39.98,-17.11,;40.02,-15.57,;41.38,-14.85,;38.64,-17.84,;38.59,-19.38,;37.32,-17.03,;35.97,-17.76,;35.92,-19.3,;34.56,-20.03,;33.26,-19.21,;31.9,-19.94,;31.85,-21.48,;30.49,-22.21,;29.18,-21.4,;29.23,-19.86,;27.83,-22.13,;27.34,-23.59,;25.8,-23.6,;25.33,-22.13,;26.58,-21.22,;26.57,-19.68,;27.66,-18.58,;28.07,-20.07,;25.24,-18.91,;25.25,-17.38,;23.92,-16.61,;22.59,-17.38,;22.59,-18.92,;23.92,-19.68,;33.16,-22.29,;34.52,-21.56,;33.11,-23.83,;33.3,-17.68,;34.65,-16.95,)| Show InChI InChI=1S/C28H36N6O6S/c29-28(30)32-21-14-10-19(11-15-21)25(35)31-20-12-8-18(9-13-20)17-23(27(37)38)33-26(36)24-7-4-16-34(24)41(39,40)22-5-2-1-3-6-22/h1-3,5-6,8-9,12-13,19,21,23-24H,4,7,10-11,14-17H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t19-,21+,23-,24-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
The Regents of the University of California
US Patent
| Assay Description
A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins... |
US Patent US10131658 (2018)
BindingDB Entry DOI: 10.7270/Q2SX6G8Q |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-1
(Homo sapiens (Human)) | BDBM50199407
(CHEMBL3902668 | US10131658, Compound 202)Show SMILES NC(=N)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,wU:18.18,7.10,4.3,wD:22.22,(45.31,-17.29,;45.36,-15.75,;46.72,-15.02,;44.05,-14.93,;42.69,-15.66,;42.64,-17.2,;41.29,-17.92,;39.98,-17.11,;40.02,-15.57,;41.38,-14.85,;38.64,-17.84,;38.59,-19.38,;37.32,-17.03,;35.97,-17.76,;35.92,-19.3,;34.56,-20.03,;33.26,-19.21,;31.9,-19.94,;31.85,-21.48,;30.49,-22.21,;29.18,-21.4,;29.23,-19.86,;27.83,-22.13,;27.34,-23.59,;25.8,-23.6,;25.33,-22.13,;26.58,-21.22,;26.57,-19.68,;27.66,-18.58,;28.07,-20.07,;25.24,-18.91,;25.25,-17.38,;23.92,-16.61,;22.59,-17.38,;22.59,-18.92,;23.92,-19.68,;33.16,-22.29,;34.52,-21.56,;33.11,-23.83,;33.3,-17.68,;34.65,-16.95,)| Show InChI InChI=1S/C28H36N6O6S/c29-28(30)32-21-14-10-19(11-15-21)25(35)31-20-12-8-18(9-13-20)17-23(27(37)38)33-26(36)24-7-4-16-34(24)41(39,40)22-5-2-1-3-6-22/h1-3,5-6,8-9,12-13,19,21,23-24H,4,7,10-11,14-17H2,(H,31,35)(H,33,36)(H,37,38)(H4,29,30,32)/t19-,21+,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub... |
ACS Med Chem Lett 7: 902-907 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4 |
More data for this
Ligand-Target Pair | |
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