Found 7 hits with Last Name = 'howard' and Initial = 'mj' 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
(Homo sapiens (Human)) | BDBM50260254
(CHEMBL446897 | NAVPNLRGDLQVLAQKVART)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O)-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C93H163N31O28/c1-41(2)34-57(82(142)108-47(13)73(133)112-55(26-28-63(96)126)78(138)114-53(22-17-18-30-94)79(139)120-69(44(7)8)88(148)109-48(14)74(134)111-54(24-20-32-105-93(102)103)80(140)123-72(50(16)125)91(151)152)119-89(149)70(45(9)10)121-81(141)56(27-29-64(97)127)115-84(144)59(36-43(5)6)117-86(146)61(39-68(131)132)110-67(130)40-106-77(137)52(23-19-31-104-92(100)101)113-83(143)58(35-42(3)4)116-85(145)60(38-66(99)129)118-87(147)62-25-21-33-124(62)90(150)71(46(11)12)122-75(135)49(15)107-76(136)51(95)37-65(98)128/h41-62,69-72,125H,17-40,94-95H2,1-16H3,(H2,96,126)(H2,97,127)(H2,98,128)(H2,99,129)(H,106,137)(H,107,136)(H,108,142)(H,109,148)(H,110,130)(H,111,134)(H,112,133)(H,113,143)(H,114,138)(H,115,144)(H,116,145)(H,117,146)(H,118,147)(H,119,149)(H,120,139)(H,121,141)(H,122,135)(H,123,140)(H,131,132)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-,72-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor (unknown origin)-dependent adhesion of mouse 3T3beta6.19 cells to TGFbeta latency associated peptides rel... |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50260254
(CHEMBL446897 | NAVPNLRGDLQVLAQKVART)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O)-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C93H163N31O28/c1-41(2)34-57(82(142)108-47(13)73(133)112-55(26-28-63(96)126)78(138)114-53(22-17-18-30-94)79(139)120-69(44(7)8)88(148)109-48(14)74(134)111-54(24-20-32-105-93(102)103)80(140)123-72(50(16)125)91(151)152)119-89(149)70(45(9)10)121-81(141)56(27-29-64(97)127)115-84(144)59(36-43(5)6)117-86(146)61(39-68(131)132)110-67(130)40-106-77(137)52(23-19-31-104-92(100)101)113-83(143)58(35-42(3)4)116-85(145)60(38-66(99)129)118-87(147)62-25-21-33-124(62)90(150)71(46(11)12)122-75(135)49(15)107-76(136)51(95)37-65(98)128/h41-62,69-72,125H,17-40,94-95H2,1-16H3,(H2,96,126)(H2,97,127)(H2,98,128)(H2,99,129)(H,106,137)(H,107,136)(H,108,142)(H,109,148)(H,110,130)(H,111,134)(H,112,133)(H,113,143)(H,114,138)(H,115,144)(H,116,145)(H,117,146)(H,118,147)(H,119,149)(H,120,139)(H,121,141)(H,122,135)(H,123,140)(H,131,132)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-,72-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor-dependent adhesion of human VB6 cells to TGFbeta latency associated peptides relative to control |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50260255
(CHEMBL526119 | GFTTGRRGDLATIHGMNRPF)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:67.67,84.86,37.44,25.29,12.12,4.4,118.119,126.127,140.143,wD:71.79,63.63,87.89,48.55,17.21,8.8,90.92,2.2,96.96,110.111,144.146,(16.9,-30.98,;16.9,-32.54,;18.22,-33.3,;19.56,-32.52,;18.22,-34.82,;16.9,-35.59,;15.55,-34.81,;15.55,-33.28,;14.23,-35.57,;12.89,-34.8,;11.56,-35.56,;11.56,-37.11,;10.22,-34.78,;10.22,-33.26,;8.9,-35.54,;7.55,-34.77,;7.55,-33.24,;6.23,-35.53,;6.23,-37.08,;7.55,-37.85,;7.55,-39.4,;8.88,-37.08,;4.89,-34.75,;3.56,-35.52,;3.56,-37.07,;2.22,-34.74,;2.22,-33.21,;3.56,-32.44,;4.91,-33.21,;3.56,-30.91,;.9,-35.51,;-.45,-34.73,;-.45,-33.2,;-1.77,-35.49,;-3.12,-34.71,;-4.43,-35.48,;-4.43,-37.03,;-5.78,-34.7,;-5.78,-33.17,;-4.43,-32.4,;-4.43,-30.87,;-3.1,-30.09,;-3.1,-28.57,;-4.41,-27.81,;-1.75,-27.79,;-7.11,-35.46,;-8.45,-34.69,;-8.45,-33.16,;-9.77,-35.46,;-9.77,-37,;-8.45,-37.77,;-8.45,-39.32,;-7.13,-40.08,;-7.13,-41.64,;-8.47,-42.41,;-5.81,-42.4,;-11.12,-34.68,;-12.45,-35.44,;-12.45,-37,;-13.79,-34.66,;-15.12,-35.42,;-16.46,-34.65,;-16.46,-33.12,;-17.79,-35.41,;-19.13,-34.64,;-20.45,-35.4,;-20.45,-36.95,;-21.8,-34.63,;-23.12,-35.39,;-24.47,-34.61,;-24.47,-33.08,;-25.79,-35.38,;-25.79,-36.92,;-24.46,-37.69,;-23.13,-36.94,;-21.8,-37.72,;-21.81,-39.26,;-23.15,-40.01,;-24.48,-39.24,;-27.12,-34.61,;-28.45,-35.38,;-28.45,-36.91,;-29.8,-34.6,;-31.12,-35.37,;-21.8,-33.1,;-23.12,-32.33,;-20.45,-32.32,;-17.79,-36.96,;-19.13,-37.74,;-16.46,-37.73,;14.23,-37.13,;12.89,-37.9,;15.55,-37.89,;19.56,-35.6,;19.56,-37.16,;20.89,-34.84,;22.24,-35.62,;22.24,-37.17,;23.56,-37.93,;24.95,-37.32,;25.98,-38.47,;25.21,-39.8,;23.71,-39.48,;23.56,-34.85,;23.56,-33.32,;24.9,-35.63,;26.22,-34.86,;27.57,-35.64,;27.57,-37.19,;28.89,-34.88,;30.24,-35.65,;30.24,-37.21,;31.56,-37.97,;31.56,-39.53,;32.88,-40.29,;31.56,-34.89,;31.56,-33.37,;32.9,-35.67,;34.23,-34.91,;34.23,-33.38,;35.57,-32.6,;36.91,-33.38,;35.57,-31.07,;35.57,-35.68,;35.57,-37.24,;36.89,-34.92,;38.24,-35.69,;39.56,-34.93,;39.56,-33.41,;40.91,-32.63,;40.91,-31.1,;42.25,-30.33,;43.6,-31.1,;42.25,-28.8,;38.24,-37.25,;36.89,-38.03,;39.56,-38.01,;41.14,-37.47,;42.17,-38.8,;41.22,-40.18,;39.82,-39.5,;38.59,-40.43,;37.2,-39.76,;38.69,-41.97,;37.42,-42.83,;36.04,-42.15,;34.76,-43.01,;34.87,-44.56,;33.59,-45.42,;32.21,-44.74,;32.1,-43.2,;33.38,-42.34,;37.53,-44.37,;36.25,-45.23,;38.91,-45.04,)| Show InChI InChI=1S/C95H150N32O27S/c1-10-48(4)73(88(149)121-62(38-55-42-104-46-111-55)79(140)109-43-69(133)114-58(29-34-155-9)81(142)120-63(39-67(97)131)83(144)118-59(27-19-32-107-95(102)103)91(152)127-33-20-28-66(127)86(147)122-65(92(153)154)37-54-23-15-12-16-24-54)123-89(150)75(51(7)129)124-77(138)49(5)112-82(143)60(35-47(2)3)119-84(145)64(40-72(136)137)116-71(135)44-108-78(139)56(25-17-30-105-93(98)99)117-80(141)57(26-18-31-106-94(100)101)113-70(134)45-110-87(148)74(50(6)128)126-90(151)76(52(8)130)125-85(146)61(115-68(132)41-96)36-53-21-13-11-14-22-53/h11-16,21-24,42,46-52,56-66,73-76,128-130H,10,17-20,25-41,43-45,96H2,1-9H3,(H2,97,131)(H,104,111)(H,108,139)(H,109,140)(H,110,148)(H,112,143)(H,113,134)(H,114,133)(H,115,132)(H,116,135)(H,117,141)(H,118,144)(H,119,145)(H,120,142)(H,121,149)(H,122,147)(H,123,150)(H,124,138)(H,125,146)(H,126,151)(H,136,137)(H,153,154)(H4,98,99,105)(H4,100,101,106)(H4,102,103,107)/t48-,49-,50+,51+,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-,75-,76-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor (unknown origin)-dependent adhesion of mouse 3T3beta6.19 cells to TGFbeta latency associated peptides rel... |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50260255
(CHEMBL526119 | GFTTGRRGDLATIHGMNRPF)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:67.67,84.86,37.44,25.29,12.12,4.4,118.119,126.127,140.143,wD:71.79,63.63,87.89,48.55,17.21,8.8,90.92,2.2,96.96,110.111,144.146,(16.9,-30.98,;16.9,-32.54,;18.22,-33.3,;19.56,-32.52,;18.22,-34.82,;16.9,-35.59,;15.55,-34.81,;15.55,-33.28,;14.23,-35.57,;12.89,-34.8,;11.56,-35.56,;11.56,-37.11,;10.22,-34.78,;10.22,-33.26,;8.9,-35.54,;7.55,-34.77,;7.55,-33.24,;6.23,-35.53,;6.23,-37.08,;7.55,-37.85,;7.55,-39.4,;8.88,-37.08,;4.89,-34.75,;3.56,-35.52,;3.56,-37.07,;2.22,-34.74,;2.22,-33.21,;3.56,-32.44,;4.91,-33.21,;3.56,-30.91,;.9,-35.51,;-.45,-34.73,;-.45,-33.2,;-1.77,-35.49,;-3.12,-34.71,;-4.43,-35.48,;-4.43,-37.03,;-5.78,-34.7,;-5.78,-33.17,;-4.43,-32.4,;-4.43,-30.87,;-3.1,-30.09,;-3.1,-28.57,;-4.41,-27.81,;-1.75,-27.79,;-7.11,-35.46,;-8.45,-34.69,;-8.45,-33.16,;-9.77,-35.46,;-9.77,-37,;-8.45,-37.77,;-8.45,-39.32,;-7.13,-40.08,;-7.13,-41.64,;-8.47,-42.41,;-5.81,-42.4,;-11.12,-34.68,;-12.45,-35.44,;-12.45,-37,;-13.79,-34.66,;-15.12,-35.42,;-16.46,-34.65,;-16.46,-33.12,;-17.79,-35.41,;-19.13,-34.64,;-20.45,-35.4,;-20.45,-36.95,;-21.8,-34.63,;-23.12,-35.39,;-24.47,-34.61,;-24.47,-33.08,;-25.79,-35.38,;-25.79,-36.92,;-24.46,-37.69,;-23.13,-36.94,;-21.8,-37.72,;-21.81,-39.26,;-23.15,-40.01,;-24.48,-39.24,;-27.12,-34.61,;-28.45,-35.38,;-28.45,-36.91,;-29.8,-34.6,;-31.12,-35.37,;-21.8,-33.1,;-23.12,-32.33,;-20.45,-32.32,;-17.79,-36.96,;-19.13,-37.74,;-16.46,-37.73,;14.23,-37.13,;12.89,-37.9,;15.55,-37.89,;19.56,-35.6,;19.56,-37.16,;20.89,-34.84,;22.24,-35.62,;22.24,-37.17,;23.56,-37.93,;24.95,-37.32,;25.98,-38.47,;25.21,-39.8,;23.71,-39.48,;23.56,-34.85,;23.56,-33.32,;24.9,-35.63,;26.22,-34.86,;27.57,-35.64,;27.57,-37.19,;28.89,-34.88,;30.24,-35.65,;30.24,-37.21,;31.56,-37.97,;31.56,-39.53,;32.88,-40.29,;31.56,-34.89,;31.56,-33.37,;32.9,-35.67,;34.23,-34.91,;34.23,-33.38,;35.57,-32.6,;36.91,-33.38,;35.57,-31.07,;35.57,-35.68,;35.57,-37.24,;36.89,-34.92,;38.24,-35.69,;39.56,-34.93,;39.56,-33.41,;40.91,-32.63,;40.91,-31.1,;42.25,-30.33,;43.6,-31.1,;42.25,-28.8,;38.24,-37.25,;36.89,-38.03,;39.56,-38.01,;41.14,-37.47,;42.17,-38.8,;41.22,-40.18,;39.82,-39.5,;38.59,-40.43,;37.2,-39.76,;38.69,-41.97,;37.42,-42.83,;36.04,-42.15,;34.76,-43.01,;34.87,-44.56,;33.59,-45.42,;32.21,-44.74,;32.1,-43.2,;33.38,-42.34,;37.53,-44.37,;36.25,-45.23,;38.91,-45.04,)| Show InChI InChI=1S/C95H150N32O27S/c1-10-48(4)73(88(149)121-62(38-55-42-104-46-111-55)79(140)109-43-69(133)114-58(29-34-155-9)81(142)120-63(39-67(97)131)83(144)118-59(27-19-32-107-95(102)103)91(152)127-33-20-28-66(127)86(147)122-65(92(153)154)37-54-23-15-12-16-24-54)123-89(150)75(51(7)129)124-77(138)49(5)112-82(143)60(35-47(2)3)119-84(145)64(40-72(136)137)116-71(135)44-108-78(139)56(25-17-30-105-93(98)99)117-80(141)57(26-18-31-106-94(100)101)113-70(134)45-110-87(148)74(50(6)128)126-90(151)76(52(8)130)125-85(146)61(115-68(132)41-96)36-53-21-13-11-14-22-53/h11-16,21-24,42,46-52,56-66,73-76,128-130H,10,17-20,25-41,43-45,96H2,1-9H3,(H2,97,131)(H,104,111)(H,108,139)(H,109,140)(H,110,148)(H,112,143)(H,113,134)(H,114,133)(H,115,132)(H,116,135)(H,117,141)(H,118,144)(H,119,145)(H,120,142)(H,121,149)(H,122,147)(H,123,150)(H,124,138)(H,125,146)(H,126,151)(H,136,137)(H,153,154)(H4,98,99,105)(H4,100,101,106)(H4,102,103,107)/t48-,49-,50+,51+,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-,75-,76-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor-dependent adhesion of human VB6 cells to TGFbeta latency associated peptides relative to control |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50260253
(CHEMBL507780 | YTASARGDLAHLTTTHARHL)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:130.133,121.124,110.113,79.86,64.73,52.54,143.148,44.46,149.154,29.30,8.15,wD:126.129,140.145,115.120,99.109,87.94,74.77,56.62,48.50,146.151,34.42,18.26,4.4,(38.99,-4.2,;38.99,-2.66,;40.33,-1.89,;37.66,-1.89,;37.66,-.35,;36.33,.42,;34.99,-.35,;34.99,-1.89,;33.66,.42,;33.66,1.96,;34.99,2.73,;36.4,2.09,;37.43,3.25,;36.66,4.58,;35.15,4.26,;32.32,-.35,;30.98,.42,;30.98,1.96,;29.66,-.35,;29.66,-1.89,;30.98,-2.66,;30.98,-4.2,;32.32,-4.97,;32.32,-6.51,;30.98,-7.28,;33.66,-7.28,;28.33,.42,;26.99,-.35,;26.99,-1.89,;25.66,.42,;25.66,1.96,;24.32,-.35,;22.98,.42,;22.98,1.96,;21.65,-.35,;21.65,-1.89,;22.98,-2.66,;24.39,-2.05,;25.43,-3.18,;24.65,-4.51,;23.15,-4.2,;20.32,.42,;18.99,-.35,;18.99,-1.89,;17.66,.42,;16.32,-.35,;14.98,.42,;14.98,1.96,;13.65,-.35,;12.32,.42,;10.99,-.35,;10.99,-1.89,;9.66,.42,;8.32,-.35,;6.98,.42,;6.98,1.96,;5.65,-.35,;5.65,-1.89,;6.98,-2.66,;6.98,-4.2,;8.32,-1.89,;4.32,.42,;2.98,-.35,;2.98,-1.89,;1.65,.42,;1.65,1.96,;2.98,2.73,;4.39,2.09,;5.42,3.25,;4.65,4.58,;3.14,4.26,;.31,-.35,;-1.02,.42,;-1.02,1.96,;-2.35,-.35,;-2.35,-1.89,;-3.68,.42,;-5.02,-.35,;-5.02,-1.89,;-6.35,.42,;-6.35,1.96,;-5.02,2.73,;-5.02,4.27,;-3.68,1.96,;-7.69,-.35,;-9.02,.42,;-9.02,1.96,;-10.35,-.35,;-10.35,-1.89,;-9.02,-2.66,;-7.69,-1.89,;-9.02,-4.2,;-11.69,.42,;-13.03,-.35,;-13.03,-1.89,;-14.36,.42,;-15.7,-.35,;-17.03,.42,;-17.03,1.96,;-18.36,-.35,;-18.36,-1.89,;-17.03,-2.66,;-17.03,-4.2,;-15.7,-4.97,;-15.7,-6.51,;-17.03,-7.28,;-14.36,-7.28,;-19.7,.42,;-21.03,-.35,;-21.03,-1.89,;-22.36,.42,;-22.36,1.96,;-23.7,-.35,;-25.03,.42,;-25.03,1.96,;-26.36,-.35,;-26.36,-1.89,;-25.03,-2.66,;-27.7,.42,;-29.04,-.35,;-29.04,-1.89,;-30.37,.42,;-30.37,1.96,;-31.69,-.35,;-33.03,.42,;-33.03,1.96,;-34.36,-.35,;-35.7,.42,;-37.03,-.35,;-37.03,-1.89,;-38.36,.42,;-39.7,-.35,;-38.36,1.96,;-37.03,2.73,;-35.7,1.96,;-34.36,2.73,;-34.36,4.27,;-33.03,5.04,;-35.7,5.04,;-37.03,4.27,;-34.36,-1.89,;-35.7,-2.66,;-33.03,-2.66,;9.66,1.96,;8.32,2.73,;10.99,2.73,;13.65,-1.89,;12.32,-2.66,;14.98,-2.66,;17.66,1.96,;16.32,2.73,;18.99,2.73,;38.99,.42,;40.33,-.35,;38.99,1.96,)| Show InChI InChI=1S/C94H150N32O29/c1-41(2)25-60(117-85(147)65(32-69(134)135)113-68(133)36-105-79(141)58(17-15-23-103-93(96)97)114-74(136)45(8)111-87(149)67(37-127)122-77(139)47(10)112-88(150)70(48(11)128)123-78(140)57(95)28-52-19-21-56(132)22-20-52)81(143)109-46(9)76(138)116-63(30-54-34-101-39-107-54)83(145)118-61(26-42(3)4)86(148)124-72(50(13)130)90(152)126-73(51(14)131)91(153)125-71(49(12)129)89(151)120-62(29-53-33-100-38-106-53)82(144)110-44(7)75(137)115-59(18-16-24-104-94(98)99)80(142)119-64(31-55-35-102-40-108-55)84(146)121-66(92(154)155)27-43(5)6/h19-22,33-35,38-51,57-67,70-73,127-132H,15-18,23-32,36-37,95H2,1-14H3,(H,100,106)(H,101,107)(H,102,108)(H,105,141)(H,109,143)(H,110,144)(H,111,149)(H,112,150)(H,113,133)(H,114,136)(H,115,137)(H,116,138)(H,117,147)(H,118,145)(H,119,142)(H,120,151)(H,121,146)(H,122,139)(H,123,140)(H,124,148)(H,125,153)(H,126,152)(H,134,135)(H,154,155)(H4,96,97,103)(H4,98,99,104)/t44-,45-,46-,47-,48+,49+,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,70-,71-,72-,73-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor-dependent adhesion of human VB6 cells to TGFbeta latency associated peptides relative to control |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50260256
(CHEMBL505222)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O)-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C93H163N31O28/c1-41(2)34-57(82(142)108-47(13)73(133)112-55(26-28-63(96)126)78(138)114-53(22-17-18-30-94)79(139)120-69(44(7)8)88(148)109-48(14)74(134)111-54(24-20-32-105-93(102)103)80(140)123-72(50(16)125)91(151)152)119-89(149)70(45(9)10)121-81(141)56(27-29-64(97)127)115-84(144)59(36-43(5)6)117-86(146)61(39-68(131)132)110-67(130)40-106-77(137)52(23-19-31-104-92(100)101)113-83(143)58(35-42(3)4)116-85(145)60(38-66(99)129)118-87(147)62-25-21-33-124(62)90(150)71(46(11)12)122-75(135)49(15)107-76(136)51(95)37-65(98)128/h41-62,69-72,125H,17-40,94-95H2,1-16H3,(H2,96,126)(H2,97,127)(H2,98,128)(H2,99,129)(H,106,137)(H,107,136)(H,108,142)(H,109,148)(H,110,130)(H,111,134)(H,112,133)(H,113,143)(H,114,138)(H,115,144)(H,116,145)(H,117,146)(H,118,147)(H,119,149)(H,120,139)(H,121,141)(H,122,135)(H,123,140)(H,131,132)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t47-,48-,49-,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69+,70+,71-,72-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor (unknown origin)-dependent adhesion of mouse 3T3beta6.19 cells to TGFbeta latency associated peptides rel... |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Integrin alpha-V
(Homo sapiens (Human)) | BDBM50260253
(CHEMBL507780 | YTASARGDLAHLTTTHARHL)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:130.133,121.124,110.113,79.86,64.73,52.54,143.148,44.46,149.154,29.30,8.15,wD:126.129,140.145,115.120,99.109,87.94,74.77,56.62,48.50,146.151,34.42,18.26,4.4,(38.99,-4.2,;38.99,-2.66,;40.33,-1.89,;37.66,-1.89,;37.66,-.35,;36.33,.42,;34.99,-.35,;34.99,-1.89,;33.66,.42,;33.66,1.96,;34.99,2.73,;36.4,2.09,;37.43,3.25,;36.66,4.58,;35.15,4.26,;32.32,-.35,;30.98,.42,;30.98,1.96,;29.66,-.35,;29.66,-1.89,;30.98,-2.66,;30.98,-4.2,;32.32,-4.97,;32.32,-6.51,;30.98,-7.28,;33.66,-7.28,;28.33,.42,;26.99,-.35,;26.99,-1.89,;25.66,.42,;25.66,1.96,;24.32,-.35,;22.98,.42,;22.98,1.96,;21.65,-.35,;21.65,-1.89,;22.98,-2.66,;24.39,-2.05,;25.43,-3.18,;24.65,-4.51,;23.15,-4.2,;20.32,.42,;18.99,-.35,;18.99,-1.89,;17.66,.42,;16.32,-.35,;14.98,.42,;14.98,1.96,;13.65,-.35,;12.32,.42,;10.99,-.35,;10.99,-1.89,;9.66,.42,;8.32,-.35,;6.98,.42,;6.98,1.96,;5.65,-.35,;5.65,-1.89,;6.98,-2.66,;6.98,-4.2,;8.32,-1.89,;4.32,.42,;2.98,-.35,;2.98,-1.89,;1.65,.42,;1.65,1.96,;2.98,2.73,;4.39,2.09,;5.42,3.25,;4.65,4.58,;3.14,4.26,;.31,-.35,;-1.02,.42,;-1.02,1.96,;-2.35,-.35,;-2.35,-1.89,;-3.68,.42,;-5.02,-.35,;-5.02,-1.89,;-6.35,.42,;-6.35,1.96,;-5.02,2.73,;-5.02,4.27,;-3.68,1.96,;-7.69,-.35,;-9.02,.42,;-9.02,1.96,;-10.35,-.35,;-10.35,-1.89,;-9.02,-2.66,;-7.69,-1.89,;-9.02,-4.2,;-11.69,.42,;-13.03,-.35,;-13.03,-1.89,;-14.36,.42,;-15.7,-.35,;-17.03,.42,;-17.03,1.96,;-18.36,-.35,;-18.36,-1.89,;-17.03,-2.66,;-17.03,-4.2,;-15.7,-4.97,;-15.7,-6.51,;-17.03,-7.28,;-14.36,-7.28,;-19.7,.42,;-21.03,-.35,;-21.03,-1.89,;-22.36,.42,;-22.36,1.96,;-23.7,-.35,;-25.03,.42,;-25.03,1.96,;-26.36,-.35,;-26.36,-1.89,;-25.03,-2.66,;-27.7,.42,;-29.04,-.35,;-29.04,-1.89,;-30.37,.42,;-30.37,1.96,;-31.69,-.35,;-33.03,.42,;-33.03,1.96,;-34.36,-.35,;-35.7,.42,;-37.03,-.35,;-37.03,-1.89,;-38.36,.42,;-39.7,-.35,;-38.36,1.96,;-37.03,2.73,;-35.7,1.96,;-34.36,2.73,;-34.36,4.27,;-33.03,5.04,;-35.7,5.04,;-37.03,4.27,;-34.36,-1.89,;-35.7,-2.66,;-33.03,-2.66,;9.66,1.96,;8.32,2.73,;10.99,2.73,;13.65,-1.89,;12.32,-2.66,;14.98,-2.66,;17.66,1.96,;16.32,2.73,;18.99,2.73,;38.99,.42,;40.33,-.35,;38.99,1.96,)| Show InChI InChI=1S/C94H150N32O29/c1-41(2)25-60(117-85(147)65(32-69(134)135)113-68(133)36-105-79(141)58(17-15-23-103-93(96)97)114-74(136)45(8)111-87(149)67(37-127)122-77(139)47(10)112-88(150)70(48(11)128)123-78(140)57(95)28-52-19-21-56(132)22-20-52)81(143)109-46(9)76(138)116-63(30-54-34-101-39-107-54)83(145)118-61(26-42(3)4)86(148)124-72(50(13)130)90(152)126-73(51(14)131)91(153)125-71(49(12)129)89(151)120-62(29-53-33-100-38-106-53)82(144)110-44(7)75(137)115-59(18-16-24-104-94(98)99)80(142)119-64(31-55-35-102-40-108-55)84(146)121-66(92(154)155)27-43(5)6/h19-22,33-35,38-51,57-67,70-73,127-132H,15-18,23-32,36-37,95H2,1-14H3,(H,100,106)(H,101,107)(H,102,108)(H,105,141)(H,109,143)(H,110,144)(H,111,149)(H,112,150)(H,113,133)(H,114,136)(H,115,137)(H,116,138)(H,117,147)(H,118,145)(H,119,142)(H,120,151)(H,121,146)(H,122,139)(H,123,140)(H,124,148)(H,125,153)(H,126,152)(H,134,135)(H,154,155)(H4,96,97,103)(H4,98,99,104)/t44-,45-,46-,47-,48+,49+,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,70-,71-,72-,73-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cancer Research UK Clinical Centre
Curated by ChEMBL
| Assay Description
Inhibition of integrin alphaVbeta6 receptor (unknown origin)-dependent adhesion of mouse 3T3beta6.19 cells to TGFbeta latency associated peptides rel... |
J Biol Chem 282: 9657-65 (2007)
Article DOI: 10.1074/jbc.M610461200
BindingDB Entry DOI: 10.7270/Q2PV6K4J |
More data for this
Ligand-Target Pair | |
Search and Browse
