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26 similar compounds to monomer 50445322

Compile data set for download or QSAR
Wt: 3333.8
BDBM50450408
Wt: 1710.9
BDBM86240
Wt: 1394.6
BDBM50030067
Wt: 1380.6
BDBM50030056
Wt: 1354.5
BDBM50030030
Wt: 1320.5
BDBM50010179
Wt: 3789.3
BDBM50000750
Wt: 1170.3
BDBM50030036
Wt: 1138.3
BDBM50030046
Wt: 1354.5
BDBM50030058
Wt: 774.8
BDBM50116484
Wt: 1138.3
BDBM50120740
Wt: 1169.2
BDBM50120741
Wt: 1154.2
BDBM50120742
Wt: 1154.2
BDBM50120744
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50450408,86240,50030067,50030056,50030030,50010179,50000750,50030036,50030046,50030058,50116484,50120740,50120741,50120742,50120744   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cholinergic, Nicotinic Alpha6


(Chick)
BDBM86240
PNG
(Alpha-Conotoxin MII | Gly-L-Cys(1)-L-Cys(2)-L-Ser-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
Show InChI InChI=1S/C67H103N23O22S4/c1-29(2)12-35-55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(53(71)98)23-113-115-25-45-64(109)85-42(22-92)61(106)83-40(17-49(70)94)67(112)90-11-7-8-47(90)65(110)89-52(31(5)6)66(111)88-46(26-116-114-24-44(62(107)87-45)76-50(95)18-68)63(108)81-37(57(102)78-35)14-32-19-72-27-74-32/h19-20,27-31,34-47,52,91-92H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta4


(Chick)
BDBM86240
PNG
(Alpha-Conotoxin MII | Gly-L-Cys(1)-L-Cys(2)-L-Ser-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
Show InChI InChI=1S/C67H103N23O22S4/c1-29(2)12-35-55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(53(71)98)23-113-115-25-45-64(109)85-42(22-92)61(106)83-40(17-49(70)94)67(112)90-11-7-8-47(90)65(110)89-52(31(5)6)66(111)88-46(26-116-114-24-44(62(107)87-45)76-50(95)18-68)63(108)81-37(57(102)78-35)14-32-19-72-27-74-32/h19-20,27-31,34-47,52,91-92H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta2


(Chick)
BDBM86240
PNG
(Alpha-Conotoxin MII | Gly-L-Cys(1)-L-Cys(2)-L-Ser-...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2
Show InChI InChI=1S/C67H103N23O22S4/c1-29(2)12-35-55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(53(71)98)23-113-115-25-45-64(109)85-42(22-92)61(106)83-40(17-49(70)94)67(112)90-11-7-8-47(90)65(110)89-52(31(5)6)66(111)88-46(26-116-114-24-44(62(107)87-45)76-50(95)18-68)63(108)81-37(57(102)78-35)14-32-19-72-27-74-32/h19-20,27-31,34-47,52,91-92H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030036
PNG
(CHEMBL437813 | G(D-Pen)-G-H-R-G-D-L-R-C-A)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
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UniChem

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Article
PubMed
n/an/a 8.26E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030036
PNG
(CHEMBL437813 | G(D-Pen)-G-H-R-G-D-L-R-C-A)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030030
PNG
(CHEMBL2371540 | R(Pen)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C52H91N25O14S2/c1-25(2)17-31-42(85)73-29(11-7-14-64-49(57)58)41(84)76-34(45(88)74-30(47(90)91)12-8-15-65-50(59)60)23-92-93-52(3,4)38(54)46(89)77-51(61)66-16-5-9-27(53)39(82)67-21-35(78)70-32(18-26-20-62-24-69-26)43(86)72-28(10-6-13-63-48(55)56)40(83)68-22-36(79)71-33(19-37(80)81)44(87)75-31/h20,24-25,27-34,38H,5-19,21-23,53-54H2,1-4H3,(H,62,69)(H,67,82)(H,68,83)(H,70,78)(H,71,79)(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H,76,84)(H,80,81)(H,90,91)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H3,61,66,77,89)/t27-,28-,29-,30+,31+,32+,33-,34+,38+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 4.93E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030056
PNG
(CHEMBL2371500 | R(Tmc)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C54H93N25O14S2/c1-27(2)19-33-44(87)75-31(11-7-16-66-51(59)60)43(86)78-36(47(90)76-32(49(92)93)12-8-17-67-52(61)62)25-94-95-54(13-3-4-14-54)40(56)48(91)79-53(63)68-18-5-9-29(55)41(84)69-23-37(80)72-34(20-28-22-64-26-71-28)45(88)74-30(10-6-15-65-50(57)58)42(85)70-24-38(81)73-35(21-39(82)83)46(89)77-33/h22,26-27,29-36,40H,3-21,23-25,55-56H2,1-2H3,(H,64,71)(H,69,84)(H,70,85)(H,72,80)(H,73,81)(H,74,88)(H,75,87)(H,76,90)(H,77,89)(H,78,86)(H,82,83)(H,92,93)(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H3,63,68,79,91)/t29-,30-,31-,32-,33+,34+,35-,36-,40-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030058
PNG
(CHEMBL413679 | R(D-Pen)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H91N25O14S2/c1-25(2)17-31-42(85)73-29(11-7-14-64-49(57)58)41(84)76-34(45(88)74-30(47(90)91)12-8-15-65-50(59)60)23-92-93-52(3,4)38(54)46(89)77-51(61)66-16-5-9-27(53)39(82)67-21-35(78)70-32(18-26-20-62-24-69-26)43(86)72-28(10-6-13-63-48(55)56)40(83)68-22-36(79)71-33(19-37(80)81)44(87)75-31/h20,24-25,27-34,38H,5-19,21-23,53-54H2,1-4H3,(H,62,69)(H,67,82)(H,68,83)(H,70,78)(H,71,79)(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H,76,84)(H,80,81)(H,90,91)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H3,61,66,77,89)/t27-,28-,29-,30+,31+,32+,33-,34-,38-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030056
PNG
(CHEMBL2371500 | R(Tmc)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C54H93N25O14S2/c1-27(2)19-33-44(87)75-31(11-7-16-66-51(59)60)43(86)78-36(47(90)76-32(49(92)93)12-8-17-67-52(61)62)25-94-95-54(13-3-4-14-54)40(56)48(91)79-53(63)68-18-5-9-29(55)41(84)69-23-37(80)72-34(20-28-22-64-26-71-28)45(88)74-30(10-6-15-65-50(57)58)42(85)70-24-38(81)73-35(21-39(82)83)46(89)77-33/h22,26-27,29-36,40H,3-21,23-25,55-56H2,1-2H3,(H,64,71)(H,69,84)(H,70,85)(H,72,80)(H,73,81)(H,74,88)(H,75,87)(H,76,90)(H,77,89)(H,78,86)(H,82,83)(H,92,93)(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H3,63,68,79,91)/t29-,30-,31-,32-,33+,34+,35-,36-,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030058
PNG
(CHEMBL413679 | R(D-Pen)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H91N25O14S2/c1-25(2)17-31-42(85)73-29(11-7-14-64-49(57)58)41(84)76-34(45(88)74-30(47(90)91)12-8-15-65-50(59)60)23-92-93-52(3,4)38(54)46(89)77-51(61)66-16-5-9-27(53)39(82)67-21-35(78)70-32(18-26-20-62-24-69-26)43(86)72-28(10-6-13-63-48(55)56)40(83)68-22-36(79)71-33(19-37(80)81)44(87)75-31/h20,24-25,27-34,38H,5-19,21-23,53-54H2,1-4H3,(H,62,69)(H,67,82)(H,68,83)(H,70,78)(H,71,79)(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H,76,84)(H,80,81)(H,90,91)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H3,61,66,77,89)/t27-,28-,29-,30+,31+,32+,33-,34-,38-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030067
PNG
(CHEMBL2371554 | R(Pmc)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C55H95N25O14S2/c1-28(2)20-34-45(88)76-32(12-8-17-67-52(60)61)44(87)79-37(48(91)77-33(50(93)94)13-9-18-68-53(62)63)26-95-96-55(14-4-3-5-15-55)41(57)49(92)80-54(64)69-19-6-10-30(56)42(85)70-24-38(81)73-35(21-29-23-65-27-72-29)46(89)75-31(11-7-16-66-51(58)59)43(86)71-25-39(82)74-36(22-40(83)84)47(90)78-34/h23,27-28,30-37,41H,3-22,24-26,56-57H2,1-2H3,(H,65,72)(H,70,85)(H,71,86)(H,73,81)(H,74,82)(H,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,87)(H,83,84)(H,93,94)(H4,58,59,66)(H4,60,61,67)(H4,62,63,68)(H3,64,69,80,92)/t30-,31-,32-,33-,34+,35+,36-,37-,41-/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030046
PNG
((Pmc)-G-H-R-G-D-L-R-C-A | CHEMBL266826)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C46H75N17O13S2/c1-24(2)15-29-39(71)61-28(10-8-14-53-45(49)50)38(70)63-32(42(74)57-25(3)43(75)76)22-77-78-46(11-5-4-6-12-46)18-33(64)54-20-34(65)58-30(16-26-19-51-23-56-26)40(72)60-27(9-7-13-52-44(47)48)37(69)55-21-35(66)59-31(17-36(67)68)41(73)62-29/h19,23-25,27-32H,4-18,20-22H2,1-3H3,(H,51,56)(H,54,64)(H,55,69)(H,57,74)(H,58,65)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,67,68)(H,75,76)(H4,47,48,52)(H4,49,50,53)/t25-,27-,28-,29+,30+,31-,32-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030036
PNG
(CHEMBL437813 | G(D-Pen)-G-H-R-G-D-L-R-C-A)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030036
PNG
(CHEMBL437813 | G(D-Pen)-G-H-R-G-D-L-R-C-A)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Adrenomedullin receptor AM1; CALCRL/RAMP2


(Homo sapiens (Human))
BDBM50000750
PNG
(CHEMBL2369459 | [Val-Ala-His-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C163H267N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110-71-265-264-70-109(203-130(232)81(17)166)150(252)198-105(61-119(229)230)147(249)211-125(85(21)218)157(259)185-84(20)133(235)210-126(86(22)219)160(262)204-110)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82+,83+,84-,85-,86-,87-,88-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105-,106+,107+,108+,109+,110+,111+,120+,121+,122+,123+,124+,125+,126+,127+,128+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane prep...


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030046
PNG
((Pmc)-G-H-R-G-D-L-R-C-A | CHEMBL266826)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C46H75N17O13S2/c1-24(2)15-29-39(71)61-28(10-8-14-53-45(49)50)38(70)63-32(42(74)57-25(3)43(75)76)22-77-78-46(11-5-4-6-12-46)18-33(64)54-20-34(65)58-30(16-26-19-51-23-56-26)40(72)60-27(9-7-13-52-44(47)48)37(69)55-21-35(66)59-31(17-36(67)68)41(73)62-29/h19,23-25,27-32H,4-18,20-22H2,1-3H3,(H,51,56)(H,54,64)(H,55,69)(H,57,74)(H,58,65)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,67,68)(H,75,76)(H4,47,48,52)(H4,49,50,53)/t25-,27-,28-,29+,30+,31-,32-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030058
PNG
(CHEMBL413679 | R(D-Pen)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H91N25O14S2/c1-25(2)17-31-42(85)73-29(11-7-14-64-49(57)58)41(84)76-34(45(88)74-30(47(90)91)12-8-15-65-50(59)60)23-92-93-52(3,4)38(54)46(89)77-51(61)66-16-5-9-27(53)39(82)67-21-35(78)70-32(18-26-20-62-24-69-26)43(86)72-28(10-6-13-63-48(55)56)40(83)68-22-36(79)71-33(19-37(80)81)44(87)75-31/h20,24-25,27-34,38H,5-19,21-23,53-54H2,1-4H3,(H,62,69)(H,67,82)(H,68,83)(H,70,78)(H,71,79)(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H,76,84)(H,80,81)(H,90,91)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H3,61,66,77,89)/t27-,28-,29-,30+,31+,32+,33-,34-,38-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50030036
PNG
(CHEMBL437813 | G(D-Pen)-G-H-R-G-D-L-R-C-A)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
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n/an/a 5.27E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha v-beta5 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030067
PNG
(CHEMBL2371554 | R(Pmc)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C55H95N25O14S2/c1-28(2)20-34-45(88)76-32(12-8-17-67-52(60)61)44(87)79-37(48(91)77-33(50(93)94)13-9-18-68-53(62)63)26-95-96-55(14-4-3-5-15-55)41(57)49(92)80-54(64)69-19-6-10-30(56)42(85)70-24-38(81)73-35(21-29-23-65-27-72-29)46(89)75-31(11-7-16-66-51(58)59)43(86)71-25-39(82)74-36(22-40(83)84)47(90)78-34/h23,27-28,30-37,41H,3-22,24-26,56-57H2,1-2H3,(H,65,72)(H,70,85)(H,71,86)(H,73,81)(H,74,82)(H,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,87)(H,83,84)(H,93,94)(H4,58,59,66)(H4,60,61,67)(H4,62,63,68)(H3,64,69,80,92)/t30-,31-,32-,33-,34+,35+,36-,37-,41-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030067
PNG
(CHEMBL2371554 | R(Pmc)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C55H95N25O14S2/c1-28(2)20-34-45(88)76-32(12-8-17-67-52(60)61)44(87)79-37(48(91)77-33(50(93)94)13-9-18-68-53(62)63)26-95-96-55(14-4-3-5-15-55)41(57)49(92)80-54(64)69-19-6-10-30(56)42(85)70-24-38(81)73-35(21-29-23-65-27-72-29)46(89)75-31(11-7-16-66-51(58)59)43(86)71-25-39(82)74-36(22-40(83)84)47(90)78-34/h23,27-28,30-37,41H,3-22,24-26,56-57H2,1-2H3,(H,65,72)(H,70,85)(H,71,86)(H,73,81)(H,74,82)(H,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,87)(H,83,84)(H,93,94)(H4,58,59,66)(H4,60,61,67)(H4,62,63,68)(H3,64,69,80,92)/t30-,31-,32-,33-,34+,35+,36-,37-,41-/m0/s1
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n/an/a 5.19E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030036
PNG
(CHEMBL437813 | G(D-Pen)-G-H-R-G-D-L-R-C-A)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C45H75N19O14S2/c1-21(2)12-26-37(72)62-25(9-7-11-53-44(49)50)36(71)64-29(40(75)58-22(3)42(77)78)19-79-80-45(4,5)34(46)41(76)56-16-30(65)54-17-31(66)59-27(13-23-15-51-20-57-23)38(73)61-24(8-6-10-52-43(47)48)35(70)55-18-32(67)60-28(14-33(68)69)39(74)63-26/h15,20-22,24-29,34H,6-14,16-19,46H2,1-5H3,(H,51,57)(H,54,65)(H,55,70)(H,56,76)(H,58,75)(H,59,66)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26+,27+,28-,29-,34-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030030
PNG
(CHEMBL2371540 | R(Pen)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C52H91N25O14S2/c1-25(2)17-31-42(85)73-29(11-7-14-64-49(57)58)41(84)76-34(45(88)74-30(47(90)91)12-8-15-65-50(59)60)23-92-93-52(3,4)38(54)46(89)77-51(61)66-16-5-9-27(53)39(82)67-21-35(78)70-32(18-26-20-62-24-69-26)43(86)72-28(10-6-13-63-48(55)56)40(83)68-22-36(79)71-33(19-37(80)81)44(87)75-31/h20,24-25,27-34,38H,5-19,21-23,53-54H2,1-4H3,(H,62,69)(H,67,82)(H,68,83)(H,70,78)(H,71,79)(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H,76,84)(H,80,81)(H,90,91)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H3,61,66,77,89)/t27-,28-,29-,30+,31+,32+,33-,34+,38+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030046
PNG
((Pmc)-G-H-R-G-D-L-R-C-A | CHEMBL266826)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C46H75N17O13S2/c1-24(2)15-29-39(71)61-28(10-8-14-53-45(49)50)38(70)63-32(42(74)57-25(3)43(75)76)22-77-78-46(11-5-4-6-12-46)18-33(64)54-20-34(65)58-30(16-26-19-51-23-56-26)40(72)60-27(9-7-13-52-44(47)48)37(69)55-21-35(66)59-31(17-36(67)68)41(73)62-29/h19,23-25,27-32H,4-18,20-22H2,1-3H3,(H,51,56)(H,54,64)(H,55,69)(H,57,74)(H,58,65)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,67,68)(H,75,76)(H4,47,48,52)(H4,49,50,53)/t25-,27-,28-,29+,30+,31-,32-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair
Urokinase receptor (uPAR)


(Homo sapiens (Human))
BDBM50120740
PNG
(CHEMBL405999 | cyclic uPA-derived peptide)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C47H75N15O14S2/c1-6-7-9-26-39(67)57-28(14-22(2)3)41(69)58-29(15-24-18-52-21-53-24)42(70)55-27(11-12-34(49)63)40(68)61-37(23(4)5)46(74)62-13-8-10-33(62)45(73)60-32(44(72)59-31(47(75)76)17-36(51)65)20-78-77-19-25(48)38(66)56-30(16-35(50)64)43(71)54-26/h18,21-23,25-33,37H,6-17,19-20,48H2,1-5H3,(H2,49,63)(H2,50,64)(H2,51,65)(H,52,53)(H,54,71)(H,55,70)(H,56,66)(H,57,67)(H,58,69)(H,59,72)(H,60,73)(H,61,68)(H,75,76)/t25-,26-,27+,28+,29-,30+,31-,32-,33+,37-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Urokinase plasminogen activator receptor (uPAR) was determined


J Med Chem 45: 4984-94 (2002)


Article DOI: 10.1021/jm020254q
BindingDB Entry DOI: 10.7270/Q2P84B7C
More data for this
Ligand-Target Pair
Urokinase receptor (uPAR)


(Homo sapiens (Human))
BDBM50120741
PNG
(CHEMBL437837 | cyclic uPA-derived peptide)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C45H68N16O17S2/c1-19(2)10-24-39(71)57-25(11-20-15-51-18-52-20)40(72)53-22(5-7-31(47)62)38(70)58-27(13-33(49)64)44(76)61-9-3-4-30(61)43(75)60-29(42(74)59-28(45(77)78)14-34(50)65)17-80-79-16-21(46)36(68)55-26(12-32(48)63)41(73)54-23(37(69)56-24)6-8-35(66)67/h15,18-19,21-30H,3-14,16-17,46H2,1-2H3,(H2,47,62)(H2,48,63)(H2,49,64)(H2,50,65)(H,51,52)(H,53,72)(H,54,73)(H,55,68)(H,56,69)(H,57,71)(H,58,70)(H,59,74)(H,60,75)(H,66,67)(H,77,78)/t21-,22-,23+,24-,25+,26-,27+,28+,29-,30-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Urokinase plasminogen activator receptor (uPAR) was determined


J Med Chem 45: 4984-94 (2002)


Article DOI: 10.1021/jm020254q
BindingDB Entry DOI: 10.7270/Q2P84B7C
More data for this
Ligand-Target Pair
Urokinase receptor (uPAR)


(Homo sapiens (Human))
BDBM50120742
PNG
(CHEMBL264653 | cyclic uPA-derived peptide)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C46H71N15O16S2/c1-20(2)12-26-40(70)57-27(13-22-16-51-19-52-22)41(71)53-24(7-9-32(48)62)39(69)60-36(21(3)4)45(75)61-11-5-6-31(61)44(74)59-30(43(73)58-29(46(76)77)15-34(50)64)18-79-78-17-23(47)37(67)55-28(14-33(49)63)42(72)54-25(38(68)56-26)8-10-35(65)66/h16,19-21,23-31,36H,5-15,17-18,47H2,1-4H3,(H2,48,62)(H2,49,63)(H2,50,64)(H,51,52)(H,53,71)(H,54,72)(H,55,67)(H,56,68)(H,57,70)(H,58,73)(H,59,74)(H,60,69)(H,65,66)(H,76,77)/t23-,24-,25+,26-,27+,28-,29+,30-,31-,36+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Urokinase plasminogen activator receptor (uPAR) was determined


J Med Chem 45: 4984-94 (2002)


Article DOI: 10.1021/jm020254q
BindingDB Entry DOI: 10.7270/Q2P84B7C
More data for this
Ligand-Target Pair
Urokinase receptor (uPAR)


(Homo sapiens (Human))
BDBM50120744
PNG
(CHEMBL438371 | cyclic uPA-derived peptide)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C46H71N15O16S2/c1-20(2)12-26-40(70)57-27(13-22-16-51-19-52-22)41(71)53-24(7-9-32(48)62)39(69)60-36(21(3)4)45(75)61-11-5-6-31(61)44(74)59-30(43(73)58-29(46(76)77)15-34(50)64)18-79-78-17-23(47)37(67)55-28(14-33(49)63)42(72)54-25(38(68)56-26)8-10-35(65)66/h16,19-21,23-31,36H,5-15,17-18,47H2,1-4H3,(H2,48,62)(H2,49,63)(H2,50,64)(H,51,52)(H,53,71)(H,54,72)(H,55,67)(H,56,68)(H,57,70)(H,58,73)(H,59,74)(H,60,69)(H,65,66)(H,76,77)/t23-,24-,25+,26-,27+,28+,29+,30-,31-,36+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human Urokinase plasminogen activator receptor (uPAR) was determined


J Med Chem 45: 4984-94 (2002)


Article DOI: 10.1021/jm020254q
BindingDB Entry DOI: 10.7270/Q2P84B7C
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50116484
PNG
(CHEMBL117958 | [22-Amino-4-carbamoyl-10-(1-hydroxy...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](N)CSSC[C@@H](NC1=O)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C29H46N10O11S2/c1-12(2)4-16-25(46)38-20(23(31)44)10-52-51-9-15(30)24(45)34-17(5-14-7-32-11-33-14)26(47)37-19(8-40)28(49)35-18(6-21(42)43)27(48)39-22(13(3)41)29(50)36-16/h7,11-13,15-20,22,40-41H,4-6,8-10,30H2,1-3H3,(H2,31,44)(H,32,33)(H,34,45)(H,35,49)(H,36,50)(H,37,47)(H,38,46)(H,39,48)(H,42,43)/t13-,15-,16-,17-,18-,19+,20-,22+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Ability to block the alpha4-beta7 integrin-MAdCAM-1 binding interaction using a protein ELISA format


J Med Chem 45: 3451-7 (2002)


Article DOI: 10.1021/jm020033k
BindingDB Entry DOI: 10.7270/Q2JM2BB5
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50116484
PNG
(CHEMBL117958 | [22-Amino-4-carbamoyl-10-(1-hydroxy...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](N)CSSC[C@@H](NC1=O)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C29H46N10O11S2/c1-12(2)4-16-25(46)38-20(23(31)44)10-52-51-9-15(30)24(45)34-17(5-14-7-32-11-33-14)26(47)37-19(8-40)28(49)35-18(6-21(42)43)27(48)39-22(13(3)41)29(50)36-16/h7,11-13,15-20,22,40-41H,4-6,8-10,30H2,1-3H3,(H2,31,44)(H,32,33)(H,34,45)(H,35,49)(H,36,50)(H,37,47)(H,38,46)(H,39,48)(H,42,43)/t13-,15-,16-,17-,18-,19+,20-,22+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration affording 50% inhibition of alpha4-beta1 integrin binding to VCAM-1, using ELISA assay.


J Med Chem 45: 3451-7 (2002)


Article DOI: 10.1021/jm020033k
BindingDB Entry DOI: 10.7270/Q2JM2BB5
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010179
PNG
(1N-[1-formyl-(1S)-ethylcarbamoylmethylcarbamoylmet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O
Show InChI InChI=1S/C53H85N21O15S2/c1-26(2)14-33(71-49(87)35(16-30-19-59-25-65-30)72-48(86)34(67-28(4)75)15-29-18-58-24-64-29)46(84)62-20-38(76)61-21-39(77)66-27(3)44(82)69-32(10-7-8-12-54)47(85)73-37-23-90-91-53(5,6)42(43(55)81)74-50(88)36(17-41(79)80)68-40(78)22-63-45(83)31(70-51(37)89)11-9-13-60-52(56)57/h18-19,24-27,31-37,42H,7-17,20-23,54H2,1-6H3,(H2,55,81)(H,58,64)(H,59,65)(H,61,76)(H,62,84)(H,63,83)(H,66,77)(H,67,75)(H,68,78)(H,69,82)(H,70,89)(H,71,87)(H,72,86)(H,73,85)(H,74,88)(H,79,80)(H4,56,57,60)/t27-,31-,32-,33-,34-,35-,36-,37-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Adrenomedullin receptor AM1; CALCRL/RAMP2


(Homo sapiens (Human))
BDBM50450408
PNG
(CHEMBL2369742)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C143H234N46O42S2/c1-64(2)103(132(222)160-58-100(199)164-92(60-191)128(218)165-80(38-27-29-43-144)118(208)162-72(16)115(205)169-84(113(150)203)48-77-34-23-21-24-35-77)180-126(216)89(53-98(149)197)175-139(229)112(76(20)194)188-131(221)95-42-33-47-189(95)141(231)109(70(13)14)185-124(214)85(49-78-36-25-22-26-37-78)170-122(212)88(52-97(148)196)172-123(213)87(51-96(147)195)171-119(209)81(39-28-30-44-145)166-135(225)108(69(11)12)184-137(227)104(65(3)4)179-101(200)57-158-99(198)56-159-117(207)91(59-190)176-120(210)82(40-31-45-156-142(151)152)167-133(223)105(66(5)6)181-121(211)83(41-32-46-157-143(153)154)168-134(224)106(67(7)8)182-125(215)86(50-79-55-155-63-161-79)174-136(226)107(68(9)10)183-130(220)94(62-233)178-140(230)111(75(19)193)186-116(206)73(17)163-138(228)110(74(18)192)187-127(217)90(54-102(201)202)173-129(219)93(61-232)177-114(204)71(15)146/h21-26,34-37,55,63-76,80-95,103-112,190-194,232-233H,27-33,38-54,56-62,144-146H2,1-20H3,(H2,147,195)(H2,148,196)(H2,149,197)(H2,150,203)(H,155,161)(H,158,198)(H,159,207)(H,160,222)(H,162,208)(H,163,228)(H,164,199)(H,165,218)(H,166,225)(H,167,223)(H,168,224)(H,169,205)(H,170,212)(H,171,209)(H,172,213)(H,173,219)(H,174,226)(H,175,229)(H,176,210)(H,177,204)(H,178,230)(H,179,200)(H,180,216)(H,181,211)(H,182,215)(H,183,220)(H,184,227)(H,185,214)(H,186,206)(H,187,217)(H,188,221)(H,201,202)(H4,151,152,156)(H4,153,154,157)/t71-,72-,73-,74+,75+,76+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [125 I]CGRP from Calcitonin gene-related peptide type receptor at 4 degrees Celsius in rabbit porcine c+i


Bioorg Med Chem Lett 5: 573-578 (1995)


Article DOI: 10.1016/0960-894X(95)00078-8
BindingDB Entry DOI: 10.7270/Q24J0FKC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50450408
PNG
(CHEMBL2369742)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C143H234N46O42S2/c1-64(2)103(132(222)160-58-100(199)164-92(60-191)128(218)165-80(38-27-29-43-144)118(208)162-72(16)115(205)169-84(113(150)203)48-77-34-23-21-24-35-77)180-126(216)89(53-98(149)197)175-139(229)112(76(20)194)188-131(221)95-42-33-47-189(95)141(231)109(70(13)14)185-124(214)85(49-78-36-25-22-26-37-78)170-122(212)88(52-97(148)196)172-123(213)87(51-96(147)195)171-119(209)81(39-28-30-44-145)166-135(225)108(69(11)12)184-137(227)104(65(3)4)179-101(200)57-158-99(198)56-159-117(207)91(59-190)176-120(210)82(40-31-45-156-142(151)152)167-133(223)105(66(5)6)181-121(211)83(41-32-46-157-143(153)154)168-134(224)106(67(7)8)182-125(215)86(50-79-55-155-63-161-79)174-136(226)107(68(9)10)183-130(220)94(62-233)178-140(230)111(75(19)193)186-116(206)73(17)163-138(228)110(74(18)192)187-127(217)90(54-102(201)202)173-129(219)93(61-232)177-114(204)71(15)146/h21-26,34-37,55,63-76,80-95,103-112,190-194,232-233H,27-33,38-54,56-62,144-146H2,1-20H3,(H2,147,195)(H2,148,196)(H2,149,197)(H2,150,203)(H,155,161)(H,158,198)(H,159,207)(H,160,222)(H,162,208)(H,163,228)(H,164,199)(H,165,218)(H,166,225)(H,167,223)(H,168,224)(H,169,205)(H,170,212)(H,171,209)(H,172,213)(H,173,219)(H,174,226)(H,175,229)(H,176,210)(H,177,204)(H,178,230)(H,179,200)(H,180,216)(H,181,211)(H,182,215)(H,183,220)(H,184,227)(H,185,214)(H,186,206)(H,187,217)(H,188,221)(H,201,202)(H4,151,152,156)(H4,153,154,157)/t71-,72-,73-,74+,75+,76+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to displace [125 I]CGRP from Calcitonin gene-related peptide type receptor at 4 degrees Centigrade in rabbit lung


Bioorg Med Chem Lett 5: 573-578 (1995)


Article DOI: 10.1016/0960-894X(95)00078-8
BindingDB Entry DOI: 10.7270/Q24J0FKC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000750
PNG
(CHEMBL2369459 | [Val-Ala-His-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C163H267N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110-71-265-264-70-109(203-130(232)81(17)166)150(252)198-105(61-119(229)230)147(249)211-125(85(21)218)157(259)185-84(20)133(235)210-126(86(22)219)160(262)204-110)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82+,83+,84-,85-,86-,87-,88-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105-,106+,107+,108+,109+,110+,111+,120+,121+,122+,123+,124+,125+,126+,127+,128+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type alpha receptor binding sites in rat brain membrane


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000750
PNG
(CHEMBL2369459 | [Val-Ala-His-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C163H267N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110-71-265-264-70-109(203-130(232)81(17)166)150(252)198-105(61-119(229)230)147(249)211-125(85(21)218)157(259)185-84(20)133(235)210-126(86(22)219)160(262)204-110)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82+,83+,84-,85-,86-,87-,88-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105-,106+,107+,108+,109+,110+,111+,120+,121+,122+,123+,124+,125+,126+,127+,128+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane prep...


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50030056
PNG
(CHEMBL2371500 | R(Tmc)-G-H-R-G-D-L-R-C-R)
Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C54H93N25O14S2/c1-27(2)19-33-44(87)75-31(11-7-16-66-51(59)60)43(86)78-36(47(90)76-32(49(92)93)12-8-17-67-52(61)62)25-94-95-54(13-3-4-14-54)40(56)48(91)79-53(63)68-18-5-9-29(55)41(84)69-23-37(80)72-34(20-28-22-64-26-71-28)45(88)74-30(10-6-15-65-50(57)58)42(85)70-24-38(81)73-35(21-39(82)83)46(89)77-33/h22,26-27,29-36,40H,3-21,23-25,55-56H2,1-2H3,(H,64,71)(H,69,84)(H,70,85)(H,72,80)(H,73,81)(H,74,88)(H,75,87)(H,76,90)(H,77,89)(H,78,86)(H,82,83)(H,92,93)(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H3,63,68,79,91)/t29-,30-,31-,32-,33+,34+,35-,36-,40-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


J Med Chem 37: 1-8 (1994)


Article DOI: 10.1021/jm00027a001
BindingDB Entry DOI: 10.7270/Q25D8QV7
More data for this
Ligand-Target Pair