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118 similar compounds to monomer 50235980

Compile data set for download or QSAR
Wt: 748.8
BDBM21004
Wt: 1483.6
BDBM21744
Wt: 748.8
BDBM85086
Wt: 744.8
BDBM50001330
Wt: 572.6
BDBM50059129
Wt: 1760.1
BDBM50031572
Wt: 1661.0
BDBM50031568
Wt: 1661.9
BDBM50057383
Wt: 1523.7
BDBM50163147
Wt: 588.6
BDBM50079440
Wt: 588.6
BDBM50079441
Wt: 588.6
BDBM50079442
Wt: 588.6
BDBM50079443
Wt: 574.6
BDBM50079444
Wt: 588.6
BDBM50079445
Displayed 1 to 15 (of 118 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 21004,21744,85086,50001330,50059129,50031572,50031568,50057383,50163147,50079440,50079441,50079442,50079443,50079444,50079445   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50031568
PNG
(CHEMBL2369874 | [D-Asp2]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C77H129N25O16/c1-7-45(6)62(73(117)97-54(25-17-35-90-77(86)87)74(118)102-36-18-26-59(102)72(116)96-51(22-12-14-32-79)67(111)99-55(37-43(2)3)69(113)93-50(63(81)107)21-11-13-31-78)101-68(112)53(24-16-34-89-76(84)85)94-66(110)52(23-15-33-88-75(82)83)95-70(114)56(38-44(4)5)100-71(115)57(40-46-19-9-8-10-20-46)92-60(104)42-91-65(109)58(41-61(105)106)98-64(108)49(80)39-47-27-29-48(103)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,103H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H2,81,107)(H,91,109)(H,92,104)(H,93,113)(H,94,110)(H,95,114)(H,96,116)(H,97,117)(H,98,108)(H,99,111)(H,100,115)(H,101,112)(H,105,106)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,62-/m0/s1
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0.0130n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor mu 1 of rat forebrain using [3H]-DAMGO as the radioligand using competition bindi...


J Med Chem 38: 2410-7 (1995)


Article DOI: 10.1021/jm00013a016
BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50031568
PNG
(CHEMBL2369874 | [D-Asp2]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C77H129N25O16/c1-7-45(6)62(73(117)97-54(25-17-35-90-77(86)87)74(118)102-36-18-26-59(102)72(116)96-51(22-12-14-32-79)67(111)99-55(37-43(2)3)69(113)93-50(63(81)107)21-11-13-31-78)101-68(112)53(24-16-34-89-76(84)85)94-66(110)52(23-15-33-88-75(82)83)95-70(114)56(38-44(4)5)100-71(115)57(40-46-19-9-8-10-20-46)92-60(104)42-91-65(109)58(41-61(105)106)98-64(108)49(80)39-47-27-29-48(103)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,103H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H2,81,107)(H,91,109)(H,92,104)(H,93,113)(H,94,110)(H,95,114)(H,96,116)(H,97,117)(H,98,108)(H,99,111)(H,100,115)(H,101,112)(H,105,106)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,62-/m0/s1
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0.0440n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of rat forebrain using [3H]-DPDPE as the radioligand using competition bind...


J Med Chem 38: 2410-7 (1995)


Article DOI: 10.1021/jm00013a016
BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50031572
PNG
(CHEMBL2369873 | [D-Asp2,Orn(Tmg)5]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N(C)C)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C81H138N28O16/c1-9-48(4)65(76(124)103-58(29-20-39-94-80(90)91)77(125)109-41-21-30-62(109)75(123)102-54(25-14-16-36-83)71(119)105-59(42-47(2)3)73(121)98-53(66(85)114)24-13-15-35-82)106-72(120)57(27-18-38-93-79(88)89)100-69(117)55(26-17-37-92-78(86)87)99-70(118)56(28-19-40-95-81(107(5)6)108(7)8)101-74(122)60(44-49-22-11-10-12-23-49)97-63(111)46-96-68(116)61(45-64(112)113)104-67(115)52(84)43-50-31-33-51(110)34-32-50/h10-12,22-23,31-34,47-48,52-62,65,110H,9,13-21,24-30,35-46,82-84H2,1-8H3,(H2,85,114)(H,96,116)(H,97,111)(H,98,121)(H,99,118)(H,100,117)(H,101,122)(H,102,123)(H,103,124)(H,104,115)(H,105,119)(H,106,120)(H,112,113)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,65-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor mu 1 of rat forebrain using [3H]-DAMGO as the radioligand using competition bindi...


J Med Chem 38: 2410-7 (1995)


Article DOI: 10.1021/jm00013a016
BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50031572
PNG
(CHEMBL2369873 | [D-Asp2,Orn(Tmg)5]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N(C)C)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C81H138N28O16/c1-9-48(4)65(76(124)103-58(29-20-39-94-80(90)91)77(125)109-41-21-30-62(109)75(123)102-54(25-14-16-36-83)71(119)105-59(42-47(2)3)73(121)98-53(66(85)114)24-13-15-35-82)106-72(120)57(27-18-38-93-79(88)89)100-69(117)55(26-17-37-92-78(86)87)99-70(118)56(28-19-40-95-81(107(5)6)108(7)8)101-74(122)60(44-49-22-11-10-12-23-49)97-63(111)46-96-68(116)61(45-64(112)113)104-67(115)52(84)43-50-31-33-51(110)34-32-50/h10-12,22-23,31-34,47-48,52-62,65,110H,9,13-21,24-30,35-46,82-84H2,1-8H3,(H2,85,114)(H,96,116)(H,97,111)(H,98,121)(H,99,118)(H,100,117)(H,101,122)(H,102,123)(H,103,124)(H,104,115)(H,105,119)(H,106,120)(H,112,113)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,65-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor kappa 1 of guinea pig cerebellum using [3H]-bremazocine as the radioligand using ...


J Med Chem 38: 2410-7 (1995)


Article DOI: 10.1021/jm00013a016
BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50031568
PNG
(CHEMBL2369874 | [D-Asp2]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C77H129N25O16/c1-7-45(6)62(73(117)97-54(25-17-35-90-77(86)87)74(118)102-36-18-26-59(102)72(116)96-51(22-12-14-32-79)67(111)99-55(37-43(2)3)69(113)93-50(63(81)107)21-11-13-31-78)101-68(112)53(24-16-34-89-76(84)85)94-66(110)52(23-15-33-88-75(82)83)95-70(114)56(38-44(4)5)100-71(115)57(40-46-19-9-8-10-20-46)92-60(104)42-91-65(109)58(41-61(105)106)98-64(108)49(80)39-47-27-29-48(103)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,103H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H2,81,107)(H,91,109)(H,92,104)(H,93,113)(H,94,110)(H,95,114)(H,96,116)(H,97,117)(H,98,108)(H,99,111)(H,100,115)(H,101,112)(H,105,106)(H4,82,83,88)(H4,84,85,89)(H4,86,87,90)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,62-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor kappa 1 of guinea pig cerebellum using [3H]-bremazocine as the radioligand using ...


J Med Chem 38: 2410-7 (1995)


Article DOI: 10.1021/jm00013a016
BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059129
PNG
(CHEMBL2369779 | N-{3-[8-Benzyl-5-isopropyl-3,6,9,1...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H40N8O6/c1-15(2)22-26(41)34-20(13-17-8-5-4-6-9-17)25(40)33-19(12-16(3)36)23(38)31-14-21(37)32-18(24(39)35-22)10-7-11-30-27(28)29/h4-6,8-9,15,18-20,22H,7,10-14H2,1-3H3,(H,31,38)(H,32,37)(H,33,40)(H,34,41)(H,35,39)(H4,28,29,30)/t18-,19-,20-,22-/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for vitronectin receptor, integrin alphaV-beta3


J Med Chem 40: 2289-92 (1997)


Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50031572
PNG
(CHEMBL2369873 | [D-Asp2,Orn(Tmg)5]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N(C)C)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C81H138N28O16/c1-9-48(4)65(76(124)103-58(29-20-39-94-80(90)91)77(125)109-41-21-30-62(109)75(123)102-54(25-14-16-36-83)71(119)105-59(42-47(2)3)73(121)98-53(66(85)114)24-13-15-35-82)106-72(120)57(27-18-38-93-79(88)89)100-69(117)55(26-17-37-92-78(86)87)99-70(118)56(28-19-40-95-81(107(5)6)108(7)8)101-74(122)60(44-49-22-11-10-12-23-49)97-63(111)46-96-68(116)61(45-64(112)113)104-67(115)52(84)43-50-31-33-51(110)34-32-50/h10-12,22-23,31-34,47-48,52-62,65,110H,9,13-21,24-30,35-46,82-84H2,1-8H3,(H2,85,114)(H,96,116)(H,97,111)(H,98,121)(H,99,118)(H,100,117)(H,101,122)(H,102,123)(H,103,124)(H,104,115)(H,105,119)(H,106,120)(H,112,113)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62-,65-/m0/s1
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14.2n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of rat forebrain using [3H]-DPDPE as the radioligand using competition bind...


J Med Chem 38: 2410-7 (1995)


Article DOI: 10.1021/jm00013a016
BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50057383
PNG
(Analog of Dynorphin A | CHEMBL2370861)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C77H128N24O17/c1-7-45(6)62(72(115)95-53(25-17-35-89-77(85)86)73(116)101-36-18-26-59(101)71(114)94-50(21-11-13-31-78)65(108)97-56(38-44(4)5)68(111)96-54(74(117)118)22-12-14-32-79)100-66(109)52(24-16-34-88-76(83)84)92-64(107)51(23-15-33-87-75(81)82)93-67(110)55(37-43(2)3)98-69(112)57(40-46-19-9-8-10-20-46)99-70(113)58(41-61(104)105)91-60(103)42-90-63(106)49(80)39-47-27-29-48(102)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,102H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H,90,106)(H,91,103)(H,92,107)(H,93,110)(H,94,114)(H,95,115)(H,96,111)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,104,105)(H,117,118)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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28n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50057383
PNG
(Analog of Dynorphin A | CHEMBL2370861)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C77H128N24O17/c1-7-45(6)62(72(115)95-53(25-17-35-89-77(85)86)73(116)101-36-18-26-59(101)71(114)94-50(21-11-13-31-78)65(108)97-56(38-44(4)5)68(111)96-54(74(117)118)22-12-14-32-79)100-66(109)52(24-16-34-88-76(83)84)92-64(107)51(23-15-33-87-75(81)82)93-67(110)55(37-43(2)3)98-69(112)57(40-46-19-9-8-10-20-46)99-70(113)58(41-61(104)105)91-60(103)42-90-63(106)49(80)39-47-27-29-48(102)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,102H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H,90,106)(H,91,103)(H,92,107)(H,93,110)(H,94,114)(H,95,115)(H,96,111)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,104,105)(H,117,118)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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180n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50057383
PNG
(Analog of Dynorphin A | CHEMBL2370861)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C77H128N24O17/c1-7-45(6)62(72(115)95-53(25-17-35-89-77(85)86)73(116)101-36-18-26-59(101)71(114)94-50(21-11-13-31-78)65(108)97-56(38-44(4)5)68(111)96-54(74(117)118)22-12-14-32-79)100-66(109)52(24-16-34-88-76(83)84)92-64(107)51(23-15-33-87-75(81)82)93-67(110)55(37-43(2)3)98-69(112)57(40-46-19-9-8-10-20-46)99-70(113)58(41-61(104)105)91-60(103)42-90-63(106)49(80)39-47-27-29-48(102)30-28-47/h8-10,19-20,27-30,43-45,49-59,62,102H,7,11-18,21-26,31-42,78-80H2,1-6H3,(H,90,106)(H,91,103)(H,92,107)(H,93,110)(H,94,114)(H,95,115)(H,96,111)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,104,105)(H,117,118)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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430n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]-DPDPE using cloned receptors transiently expressed on CHO c...


J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM85086
PNG
(SFLLRN-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C34H56N10O9/c1-18(2)13-23(30(49)40-22(11-8-12-39-34(37)38)29(48)44-26(33(52)53)16-27(36)46)42-31(50)24(14-19(3)4)43-32(51)25(41-28(47)21(35)17-45)15-20-9-6-5-7-10-20/h5-7,9-10,18-19,21-26,45H,8,11-17,35H2,1-4H3,(H2,36,46)(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H,52,53)(H4,37,38,39)/t21-,22-,23-,24-,25-,26-/m0/s1
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540n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 51: 350-6 (1997)


Article DOI: 10.1124/mol.51.2.350
BindingDB Entry DOI: 10.7270/Q2FB51H4
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM21744
PNG
(2-[(1S,7S,10S,13S,16S,22S,25S,31S,34S,37S,40S,43S,...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H106N18O20/c1-6-35(3)51-62(101)79-43(32-86)57(96)76-42(29-38-17-9-8-10-18-38)64(103)83-26-14-21-46(83)60(99)75-41(30-50(91)92)54(93)72-31-49(90)73-39(20-13-25-71-67(69)70)55(94)77-45(34-88)59(98)82-53(37(5)89)63(102)74-40(19-11-12-24-68)56(95)78-44(33-87)58(97)81-52(36(4)7-2)66(105)85-28-16-23-48(85)65(104)84-27-15-22-47(84)61(100)80-51/h8-10,17-18,35-37,39-48,51-53,86-89H,6-7,11-16,19-34,68H2,1-5H3,(H,72,93)(H,73,90)(H,74,102)(H,75,99)(H,76,96)(H,77,94)(H,78,95)(H,79,101)(H,80,100)(H,81,97)(H,82,98)(H,91,92)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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4.04E+4 -5.93n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059129
PNG
(CHEMBL2369779 | N-{3-[8-Benzyl-5-isopropyl-3,6,9,1...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C27H40N8O6/c1-15(2)22-26(41)34-20(13-17-8-5-4-6-9-17)25(40)33-19(12-16(3)36)23(38)31-14-21(37)32-18(24(39)35-22)10-7-11-30-27(28)29/h4-6,8-9,15,18-20,22H,7,10-14H2,1-3H3,(H,31,38)(H,32,37)(H,33,40)(H,34,41)(H,35,39)(H4,28,29,30)/t18-,19-,20-,22-/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3


J Med Chem 40: 2289-92 (1997)


Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM21004
PNG
((3S)-3-{[(1R)-4-[(diaminomethylidene)amino]-1-{[(1...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C41H47N7O7/c42-41(43)45-22-7-12-33(39(54)48-34(24-28-15-19-32(49)20-16-28)38(53)44-23-21-27-8-3-1-4-9-27)47-40(55)35(26-37(51)52)46-36(50)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30/h1-6,8-11,13-20,33-35,49H,7,12,21-26H2,(H,44,53)(H,46,50)(H,47,55)(H,48,54)(H,51,52)(H4,42,43,45)/p-1/t33-,34+,35+/m1/s1
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5.75E+4 -5.78n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM21744
PNG
(2-[(1S,7S,10S,13S,16S,22S,25S,31S,34S,37S,40S,43S,...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O)[C@@H](C)O)[C@@H](C)CC
Show InChI InChI=1S/C67H106N18O20/c1-6-35(3)51-62(101)79-43(32-86)57(96)76-42(29-38-17-9-8-10-18-38)64(103)83-26-14-21-46(83)60(99)75-41(30-50(91)92)54(93)72-31-49(90)73-39(20-13-25-71-67(69)70)55(94)77-45(34-88)59(98)82-53(37(5)89)63(102)74-40(19-11-12-24-68)56(95)78-44(33-87)58(97)81-52(36(4)7-2)66(105)85-28-16-23-48(85)65(104)84-27-15-22-47(84)61(100)80-51/h8-10,17-18,35-37,39-48,51-53,86-89H,6-7,11-16,19-34,68H2,1-5H3,(H,72,93)(H,73,90)(H,74,102)(H,75,99)(H,76,96)(H,77,94)(H,78,95)(H,79,101)(H,80,100)(H,81,97)(H,82,98)(H,91,92)(H4,69,70,71)/t35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-,53-/m0/s1
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1.07E+5 -5.36n/an/an/an/an/a8.522



Georgetown University Medical Center



Assay Description
The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...


J Med Chem 50: 5976-83 (2007)


Article DOI: 10.1021/jm0704898
BindingDB Entry DOI: 10.7270/Q2S75DNJ
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration for intracellular cAMP accumulation in human melanocortin 5 receptor expressing HEK 293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration for intracellular cAMP accumulation in human melanocortin 3 receptor expressing HEK 293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001330
PNG
((6,15-Dibenzyl-3-sec-butyl-16-methyl-2,5,8,14,17,2...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C40H52N6O8/c1-4-25(2)34-40(54)46-20-12-11-18-30(46)37(51)42-29(24-33(47)48)38(52)44(3)32(23-27-16-9-6-10-17-27)39(53)45-21-13-19-31(45)36(50)41-28(35(49)43-34)22-26-14-7-5-8-15-26/h5-10,14-17,25,28-32,34H,4,11-13,18-24H2,1-3H3,(H,41,50)(H,42,51)(H,43,49)(H,47,48)/t25-,28+,29-,30+,31-,32+,34-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.


J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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PubMed
n/an/a 650n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 5 receptor expressed in HEK293 cells; N = 4


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 3 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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PubMed
n/an/an/an/a 55n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration for intracellular cAMP accumulation in human melanocortin 1 receptor expressing HEK 293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration for intracellular cAMP accumulation in human melanocortin 4 receptor expressing HEK 293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50079441
PNG
(CHEMBL321332 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)26(42)35(3)19(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50079440
PNG
(CHEMBL103214 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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PubMed
n/an/a 0.580n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079444
PNG
(CHEMBL317887 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18+,21+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079445
PNG
(CHEMBL103089 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)N(C)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)32-17(10-7-11-30-27(28)29)23(39)31-14-20(36)35(3)19(13-21(37)38)25(41)33-18(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,42)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079442
PNG
(CHEMBL105553 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CN(C)C(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)32-17(10-7-11-30-27(28)29)26(42)35(3)14-20(36)31-19(13-21(37)38)23(39)33-18(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,36)(H,32,41)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079443
PNG
(CHEMBL431829 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)35(3)19(10-7-11-30-27(28)29)25(41)31-14-20(36)32-18(13-21(37)38)23(39)33-17(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,41)(H,32,36)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50079445
PNG
(CHEMBL103089 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)N(C)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)32-17(10-7-11-30-27(28)29)23(39)31-14-20(36)35(3)19(13-21(37)38)25(41)33-18(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,42)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50079444
PNG
(CHEMBL317887 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18+,21+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50079443
PNG
(CHEMBL431829 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)35(3)19(10-7-11-30-27(28)29)25(41)31-14-20(36)32-18(13-21(37)38)23(39)33-17(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,41)(H,32,36)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50163147
PNG
(CHEMBL2310901 | H-Tyr-Val-Nle-Gly-Pro-D-Nal(2'')-A...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64?,68-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)


Article DOI: 10.1021/jm049579s
BindingDB Entry DOI: 10.7270/Q2XD12F5
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079441
PNG
(CHEMBL321332 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)26(42)35(3)19(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50079440
PNG
(CHEMBL103214 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of alpha IIb beta3 integrin binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50079442
PNG
(CHEMBL105553 | [(2R,5R,8R,11S)-5-Benzyl-11-(3-guan...)
Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CN(C)C(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)32-17(10-7-11-30-27(28)29)26(42)35(3)14-20(36)31-19(13-21(37)38)23(39)33-18(24(40)34-22)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,36)(H,32,41)(H,33,39)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18+,19+,22+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen


J Med Chem 42: 3033-40 (1999)


Article DOI: 10.1021/jm970832g
BindingDB Entry DOI: 10.7270/Q2CN733T
More data for this
Ligand-Target Pair