Found 179 hits with Last Name = 'medeiros' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PDE4D using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured af... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured af... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon receptor
(Rattus norvegicus) | BDBM50104037
(CHEMBL428460 | His-Ser-Gln-Gly-Lys-Phe-Thr-Ser-Glu...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C156H230N44O47S/c1-76(2)57-102(138(230)182-101(51-56-248-10)137(229)191-109(65-119(162)212)147(239)200-126(81(9)206)154(246)247)185-142(234)108(63-86-68-171-92-30-18-17-29-90(86)92)190-135(227)99(45-49-118(161)211)183-152(244)124(78(5)6)198-145(237)106(59-82-25-13-11-14-26-82)189-143(235)110(66-122(215)216)192-134(226)98(44-48-117(160)210)176-127(219)79(7)174-130(222)95(33-23-54-169-155(163)164)177-132(224)96(34-24-55-170-156(165)166)179-150(242)114(73-203)196-144(236)111(67-123(217)218)193-139(231)103(58-77(3)4)184-140(232)104(61-84-35-39-88(207)40-36-84)186-133(225)94(31-19-21-52-157)178-149(241)113(72-202)195-141(233)105(62-85-37-41-89(208)42-38-85)187-136(228)100-46-50-120(213)168-53-22-20-32-93(131(223)188-107(60-83-27-15-12-16-28-83)146(238)199-125(80(8)205)153(245)197-115(74-204)151(243)181-100)175-121(214)70-172-129(221)97(43-47-116(159)209)180-148(240)112(71-201)194-128(220)91(158)64-87-69-167-75-173-87/h11-18,25-30,35-42,68-69,75-81,91,93-115,124-126,171,201-208H,19-24,31-34,43-67,70-74,157-158H2,1-10H3,(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,212)(H,167,173)(H,168,213)(H,172,221)(H,174,222)(H,175,214)(H,176,219)(H,177,224)(H,178,241)(H,179,242)(H,180,240)(H,181,243)(H,182,230)(H,183,244)(H,184,232)(H,185,234)(H,186,225)(H,187,228)(H,188,223)(H,189,235)(H,190,227)(H,191,229)(H,192,226)(H,193,231)(H,194,220)(H,195,233)(H,196,236)(H,197,245)(H,198,237)(H,199,238)(H,200,239)(H,215,216)(H,217,218)(H,246,247)(H4,163,164,169)(H4,165,166,170)/t79-,80+,81+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,124-,125-,126-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PDE4A using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured af... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50104040
(CHEMBL412488 | His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C154H225N41O48S/c1-74(2)55-100(136(225)176-99(50-54-244-11)135(224)184-107(63-117(160)208)145(234)195-125(80(10)202)153(242)243)179-140(229)106(61-85-66-166-91-30-19-18-29-89(85)91)183-133(222)97(44-48-116(159)207)177-150(239)122(76(5)6)193-143(232)104(57-81-25-14-12-15-26-81)181-134(223)98-45-49-118(209)164-52-23-21-32-93(130(219)171-94(33-24-53-165-154(161)162)129(218)169-77(7)126(215)170-96(132(221)175-98)43-47-115(158)206)173-148(237)112(71-198)190-142(231)109(65-121(213)214)185-137(226)101(56-75(3)4)178-138(227)102(59-83-34-38-87(203)39-35-83)180-131(220)92(31-20-22-51-155)172-147(236)111(70-197)189-139(228)103(60-84-36-40-88(204)41-37-84)182-141(230)108(64-120(211)212)186-149(238)113(72-199)191-152(241)124(79(9)201)194-144(233)105(58-82-27-16-13-17-28-82)187-151(240)123(78(8)200)192-119(210)68-167-128(217)95(42-46-114(157)205)174-146(235)110(69-196)188-127(216)90(156)62-86-67-163-73-168-86/h12-19,25-30,34-41,66-67,73-80,90,92-113,122-125,166,196-204H,20-24,31-33,42-65,68-72,155-156H2,1-11H3,(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,208)(H,163,168)(H,164,209)(H,167,217)(H,169,218)(H,170,215)(H,171,219)(H,172,236)(H,173,237)(H,174,235)(H,175,221)(H,176,225)(H,177,239)(H,178,227)(H,179,229)(H,180,220)(H,181,223)(H,182,230)(H,183,222)(H,184,224)(H,185,226)(H,186,238)(H,187,240)(H,188,216)(H,189,228)(H,190,231)(H,191,241)(H,192,210)(H,193,232)(H,194,233)(H,195,234)(H,211,212)(H,213,214)(H,242,243)(H4,161,162,165)/t77-,78+,79+,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098571
(CHEMBL266481 | GLUCAGON | His-Ser-Gln-Gly-Thr-Phe-...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
inhibition of [125]glucagon specific binding. |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098571
(CHEMBL266481 | GLUCAGON | His-Ser-Gln-Gly-Thr-Phe-...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant PDE4C using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured af... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon receptor
(Rattus norvegicus) | BDBM50104030
(CHEMBL439885 | His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C149H221N41O49S/c1-70(2)51-94(131(221)171-93(46-50-240-11)130(220)178-100(58-111(155)202)140(230)190-120(76(10)197)148(238)239)174-134(224)99(56-80-62-161-85-30-19-18-29-83(80)85)177-129(219)91(40-44-110(154)201)172-145(235)117(72(5)6)188-138(228)97(53-77-25-14-12-15-26-77)176-135(225)101(59-114(205)206)179-128(218)90(39-43-109(153)200)165-121(211)73(7)164-124(214)88(33-24-49-160-149(156)157)167-127(217)92-41-45-112(203)159-48-23-21-32-87(126(216)173-95(52-71(3)4)132(222)180-103(61-116(209)210)137(227)185-106(67-193)143(233)170-92)166-125(215)86(31-20-22-47-150)168-142(232)105(66-192)184-133(223)96(55-79-34-36-82(198)37-35-79)175-136(226)102(60-115(207)208)181-144(234)107(68-194)186-147(237)119(75(9)196)189-139(229)98(54-78-27-16-13-17-28-78)182-146(236)118(74(8)195)187-113(204)64-162-123(213)89(38-42-108(152)199)169-141(231)104(65-191)183-122(212)84(151)57-81-63-158-69-163-81/h12-19,25-30,34-37,62-63,69-76,84,86-107,117-120,161,191-198H,20-24,31-33,38-61,64-68,150-151H2,1-11H3,(H2,152,199)(H2,153,200)(H2,154,201)(H2,155,202)(H,158,163)(H,159,203)(H,162,213)(H,164,214)(H,165,211)(H,166,215)(H,167,217)(H,168,232)(H,169,231)(H,170,233)(H,171,221)(H,172,235)(H,173,216)(H,174,224)(H,175,226)(H,176,225)(H,177,219)(H,178,220)(H,179,218)(H,180,222)(H,181,234)(H,182,236)(H,183,212)(H,184,223)(H,185,227)(H,186,237)(H,187,204)(H,188,228)(H,189,229)(H,190,230)(H,205,206)(H,207,208)(H,209,210)(H,238,239)(H4,156,157,160)/t73-,74+,75+,76+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,117-,118-,119-,120-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50555898
(CHEMBL3182164)Show SMILES C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3OCOc3c2)c(F)c1)C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PDE4D (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50104039
(CHEMBL267189 | His-Ser-Gln-Cys-Thr-Phe-Thr-Ser-Cys...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C153H227N43O47S3/c1-72(2)52-97(132(223)175-96(47-51-246-11)131(222)183-104(60-116(159)209)141(232)196-122(78(10)203)151(242)243)178-136(227)103(58-83-63-167-89-29-19-18-28-87(83)89)182-129(220)95(43-46-115(158)208)176-148(239)119(74(5)6)193-139(230)101(54-79-24-14-12-15-25-79)180-137(228)105(61-117(210)211)184-128(219)93(41-44-113(156)206)170-123(214)75(7)169-125(216)91(31-22-49-165-152(160)161)171-126(217)92(32-23-50-166-153(162)163)173-144(235)109(67-199)189-138(229)106(62-118(212)213)185-133(224)98(53-73(3)4)177-134(225)99(56-81-33-37-85(204)38-34-81)179-127(218)90(30-20-21-48-154)172-143(234)108(66-198)188-135(226)100(57-82-35-39-86(205)40-36-82)181-146(237)111(69-244)192-145(236)110(68-200)190-150(241)121(77(9)202)194-140(231)102(55-80-26-16-13-17-27-80)186-149(240)120(76(8)201)195-147(238)112(70-245)191-130(221)94(42-45-114(157)207)174-142(233)107(65-197)187-124(215)88(155)59-84-64-164-71-168-84/h12-19,24-29,33-40,63-64,71-78,88,90-112,119-122,167,197-205,244-245H,20-23,30-32,41-62,65-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,168)(H,169,216)(H,170,214)(H,171,217)(H,172,234)(H,173,235)(H,174,233)(H,175,223)(H,176,239)(H,177,225)(H,178,227)(H,179,218)(H,180,228)(H,181,237)(H,182,220)(H,183,222)(H,184,219)(H,185,224)(H,186,240)(H,187,215)(H,188,226)(H,189,229)(H,190,241)(H,191,221)(H,192,236)(H,193,230)(H,194,231)(H,195,238)(H,196,232)(H,210,211)(H,212,213)(H,242,243)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098563
(CHEMBL413890 | Ser-Gln-Gly-Thr-Phe-Thr-Ser-Glu-Tyr...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C148H221N41O47S/c1-70(2)54-95(131(221)171-94(49-53-237-11)130(220)179-102(61-111(154)202)140(230)188-117(74(8)194)120(155)210)174-135(225)101(60-81-64-162-86-29-19-18-28-84(81)86)178-128(218)92(43-47-110(153)201)172-144(234)116(72(5)6)187-138(228)99(56-77-24-14-12-15-25-77)177-136(226)103(62-114(206)207)180-127(217)91(42-46-109(152)200)165-121(211)73(7)164-124(214)88(31-22-51-160-147(156)157)167-125(215)89(32-23-52-161-148(158)159)169-142(232)106(68-192)184-137(227)104(63-115(208)209)181-132(222)96(55-71(3)4)173-133(223)97(58-79-33-37-82(197)38-34-79)175-126(216)87(30-20-21-50-149)168-141(231)105(67-191)183-134(224)98(59-80-35-39-83(198)40-36-80)176-129(219)93(44-48-113(204)205)170-143(233)107(69-193)185-146(236)119(76(10)196)189-139(229)100(57-78-26-16-13-17-27-78)182-145(235)118(75(9)195)186-112(203)65-163-123(213)90(41-45-108(151)199)166-122(212)85(150)66-190/h12-19,24-29,33-40,64,70-76,85,87-107,116-119,162,190-198H,20-23,30-32,41-63,65-69,149-150H2,1-11H3,(H2,151,199)(H2,152,200)(H2,153,201)(H2,154,202)(H2,155,210)(H,163,213)(H,164,214)(H,165,211)(H,166,212)(H,167,215)(H,168,231)(H,169,232)(H,170,233)(H,171,221)(H,172,234)(H,173,223)(H,174,225)(H,175,216)(H,176,219)(H,177,226)(H,178,218)(H,179,220)(H,180,217)(H,181,222)(H,182,235)(H,183,224)(H,184,227)(H,185,236)(H,186,203)(H,187,228)(H,188,230)(H,189,229)(H,204,205)(H,206,207)(H,208,209)(H4,156,157,160)(H4,158,159,161)/t73-,74+,75+,76+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Compound was evaluated for its ability to displace radiolabelled glucagon |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438224
(CHEMBL2407759)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon receptor
(Rattus norvegicus) | BDBM50104031
(CHEMBL263603 | His-Cys-Gln-Gly-Thr-Phe-Cys-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C152H223N43O47S3/c1-72(2)51-96(132(223)175-95(46-50-245-10)131(222)183-103(59-115(158)206)142(233)195-122(77(9)200)150(241)242)178-137(228)102(57-82-63-166-88-28-18-17-27-86(82)88)182-130(221)94(42-45-114(157)205)176-148(239)120(74(5)6)194-141(232)101(54-79-25-15-12-16-26-79)181-138(229)104(60-117(208)209)184-129(220)93(41-44-113(156)204)170-123(214)75(7)169-126(217)90(30-21-48-164-151(159)160)171-127(218)91(31-22-49-165-152(161)162)173-144(235)108(67-197)189-140(231)106(62-119(212)213)185-133(224)97(52-73(3)4)177-134(225)98(55-80-32-36-84(201)37-33-80)179-128(219)89(29-19-20-47-153)172-143(234)107(66-196)188-135(226)99(56-81-34-38-85(202)39-35-81)180-139(230)105(61-118(210)211)186-145(236)109(68-198)190-147(238)111(70-244)192-136(227)100(53-78-23-13-11-14-24-78)187-149(240)121(76(8)199)193-116(207)65-167-125(216)92(40-43-112(155)203)174-146(237)110(69-243)191-124(215)87(154)58-83-64-163-71-168-83/h11-18,23-28,32-39,63-64,71-77,87,89-111,120-122,166,196-202,243-244H,19-22,29-31,40-62,65-70,153-154H2,1-10H3,(H2,155,203)(H2,156,204)(H2,157,205)(H2,158,206)(H,163,168)(H,167,216)(H,169,217)(H,170,214)(H,171,218)(H,172,234)(H,173,235)(H,174,237)(H,175,223)(H,176,239)(H,177,225)(H,178,228)(H,179,219)(H,180,230)(H,181,229)(H,182,221)(H,183,222)(H,184,220)(H,185,224)(H,186,236)(H,187,240)(H,188,226)(H,189,231)(H,190,238)(H,191,215)(H,192,227)(H,193,207)(H,194,232)(H,195,233)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,159,160,164)(H4,161,162,165)/t75-,76+,77+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50104043
(CHEMBL437648 | His-Ser-Lys-Gly-Thr-Phe-Glu-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C155H227N43O48S/c1-75(2)55-100(136(228)179-99(49-54-247-10)135(227)187-107(63-117(160)209)146(238)198-125(80(9)204)153(245)246)182-141(233)106(61-85-67-169-91-30-18-17-29-89(85)91)186-133(225)97(44-47-116(159)208)180-151(243)123(77(5)6)197-145(237)105(58-82-27-15-12-16-28-82)185-142(234)108(64-120(212)213)188-132(224)96(43-46-115(158)207)173-126(218)78(7)172-129(221)94(33-23-52-167-154(161)162)175-130(222)95(34-24-53-168-155(163)164)177-149(241)113(72-201)195-144(236)110(66-122(216)217)189-137(229)101(56-76(3)4)181-139(231)102(59-83-35-39-87(205)40-36-83)183-131(223)93(31-19-21-50-156)176-148(240)112(71-200)194-140(232)103(60-84-37-41-88(206)42-38-84)184-143(235)109(65-121(214)215)190-150(242)114(73-202)193-134(226)98-45-48-118(210)166-51-22-20-32-92(174-147(239)111(70-199)192-127(219)90(157)62-86-68-165-74-171-86)128(220)170-69-119(211)196-124(79(8)203)152(244)191-104(138(230)178-98)57-81-25-13-11-14-26-81/h11-18,25-30,35-42,67-68,74-80,90,92-114,123-125,169,199-206H,19-24,31-34,43-66,69-73,156-157H2,1-10H3,(H2,158,207)(H2,159,208)(H2,160,209)(H,165,171)(H,166,210)(H,170,220)(H,172,221)(H,173,218)(H,174,239)(H,175,222)(H,176,240)(H,177,241)(H,178,230)(H,179,228)(H,180,243)(H,181,231)(H,182,233)(H,183,223)(H,184,235)(H,185,234)(H,186,225)(H,187,227)(H,188,224)(H,189,229)(H,190,242)(H,191,244)(H,192,219)(H,193,226)(H,194,232)(H,195,236)(H,196,211)(H,197,237)(H,198,238)(H,212,213)(H,214,215)(H,216,217)(H,245,246)(H4,161,162,167)(H4,163,164,168)/t78-,79+,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50104041
(CHEMBL414077 | His-Ser-Gln-Gly-Thr-Phe-Cys-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C149H216N42O48S3/c1-69(2)47-92(128(219)170-91(43-46-242-10)127(218)178-99(55-112(154)203)138(229)191-119(74(9)197)147(238)239)173-133(224)98(53-79-59-162-85-26-18-17-25-83(79)85)177-126(217)90(39-42-111(153)202)171-145(236)117(71(5)6)190-137(228)97(50-76-23-15-12-16-24-76)175-134(225)100(56-114(205)206)179-125(216)89(38-41-110(152)201)166-120(211)72(7)165-123(214)86(27-19-44-160-148(155)156)167-124(215)87(28-20-45-161-149(157)158)168-140(231)104(63-193)185-136(227)102(58-116(209)210)180-129(220)93(48-70(3)4)172-130(221)94(51-77-29-33-81(198)34-30-77)176-143(234)107(66-240)188-142(233)106(65-195)184-131(222)95(52-78-31-35-82(199)36-32-78)174-135(226)101(57-115(207)208)181-141(232)105(64-194)186-144(235)108(67-241)187-132(223)96(49-75-21-13-11-14-22-75)182-146(237)118(73(8)196)189-113(204)61-163-122(213)88(37-40-109(151)200)169-139(230)103(62-192)183-121(212)84(150)54-80-60-159-68-164-80/h11-18,21-26,29-36,59-60,68-74,84,86-108,117-119,162,192-199,240-241H,19-20,27-28,37-58,61-67,150H2,1-10H3,(H2,151,200)(H2,152,201)(H2,153,202)(H2,154,203)(H,159,164)(H,163,213)(H,165,214)(H,166,211)(H,167,215)(H,168,231)(H,169,230)(H,170,219)(H,171,236)(H,172,221)(H,173,224)(H,174,226)(H,175,225)(H,176,234)(H,177,217)(H,178,218)(H,179,216)(H,180,220)(H,181,232)(H,182,237)(H,183,212)(H,184,222)(H,185,227)(H,186,235)(H,187,223)(H,188,233)(H,189,204)(H,190,228)(H,191,229)(H,205,206)(H,207,208)(H,209,210)(H,238,239)(H4,155,156,160)(H4,157,158,161)/t72-,73+,74+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604362
(CHEMBL5185760)Show SMILES CCNc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50438223
(CHEMBL2407758)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604357
(CHEMBL5177250)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2ccc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50438224
(CHEMBL2407759)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604360
(CHEMBL5187048)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2ccc(OCC(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438223
(CHEMBL2407758)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PDE4D (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon receptor
(Rattus norvegicus) | BDBM50104033
(CHEMBL442135 | His-Ser-Gln-Gly-Thr-Phe-Lys-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C157H230N44O48S/c1-76(2)57-102(139(232)183-101(51-56-250-10)138(231)191-109(65-119(163)212)149(242)201-127(81(9)206)155(248)249)186-144(237)108(63-86-69-172-92-30-18-17-29-90(86)92)190-137(230)99(45-49-118(162)211)184-153(246)125(78(5)6)200-148(241)107(60-83-27-15-12-16-28-83)189-145(238)110(66-122(215)216)192-136(229)98(44-48-117(161)210)176-128(221)79(7)175-131(224)95(33-23-54-170-156(164)165)178-132(225)96(34-24-55-171-157(166)167)180-151(244)114(73-203)198-147(240)112(68-124(219)220)193-140(233)103(58-77(3)4)185-143(236)105(62-85-37-41-89(208)42-38-85)187-133(226)93(31-19-21-52-158)177-135(228)100-46-50-120(213)169-53-22-20-32-94(134(227)197-115(74-204)152(245)194-111(67-123(217)218)146(239)188-104(141(234)182-100)61-84-35-39-88(207)40-36-84)179-142(235)106(59-82-25-13-11-14-26-82)195-154(247)126(80(8)205)199-121(214)71-173-130(223)97(43-47-116(160)209)181-150(243)113(72-202)196-129(222)91(159)64-87-70-168-75-174-87/h11-18,25-30,35-42,69-70,75-81,91,93-115,125-127,172,202-208H,19-24,31-34,43-68,71-74,158-159H2,1-10H3,(H2,160,209)(H2,161,210)(H2,162,211)(H2,163,212)(H,168,174)(H,169,213)(H,173,223)(H,175,224)(H,176,221)(H,177,228)(H,178,225)(H,179,235)(H,180,244)(H,181,243)(H,182,234)(H,183,232)(H,184,246)(H,185,236)(H,186,237)(H,187,226)(H,188,239)(H,189,238)(H,190,230)(H,191,231)(H,192,229)(H,193,233)(H,194,245)(H,195,247)(H,196,222)(H,197,227)(H,198,240)(H,199,214)(H,200,241)(H,201,242)(H,215,216)(H,217,218)(H,219,220)(H,248,249)(H4,164,165,170)(H4,166,167,171)/t79-,80+,81+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,125-,126-,127-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50104044
(CHEMBL409654 | His-Ser-Gln-Gly-Thr-Phe-Thr-Ser-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C150H219N43O49S3/c1-70(2)49-93(129(222)172-92(44-48-245-8)128(221)179-99(56-112(156)206)138(231)193-120(74(7)200)148(241)242)174-132(225)98(54-79-60-164-85-26-16-15-25-83(79)85)178-127(220)91(40-43-111(155)205)173-145(238)117(71(3)4)191-136(229)96(50-75-21-11-9-12-22-75)177-133(226)100(57-114(208)209)180-126(219)90(39-42-110(154)204)171-143(236)107(67-243)188-125(218)88(29-20-47-163-150(159)160)167-123(216)87(28-19-46-162-149(157)158)169-141(234)105(65-196)186-135(228)102(59-116(212)213)182-144(237)108(68-244)189-131(224)95(53-78-32-36-82(202)37-33-78)175-124(217)86(27-17-18-45-151)168-140(233)104(64-195)185-130(223)94(52-77-30-34-81(201)35-31-77)176-134(227)101(58-115(210)211)181-142(235)106(66-197)187-147(240)119(73(6)199)192-137(230)97(51-76-23-13-10-14-24-76)183-146(239)118(72(5)198)190-113(207)62-165-122(215)89(38-41-109(153)203)170-139(232)103(63-194)184-121(214)84(152)55-80-61-161-69-166-80/h9-16,21-26,30-37,60-61,69-74,84,86-108,117-120,164,194-202,243-244H,17-20,27-29,38-59,62-68,151-152H2,1-8H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H,161,166)(H,165,215)(H,167,216)(H,168,233)(H,169,234)(H,170,232)(H,171,236)(H,172,222)(H,173,238)(H,174,225)(H,175,217)(H,176,227)(H,177,226)(H,178,220)(H,179,221)(H,180,219)(H,181,235)(H,182,237)(H,183,239)(H,184,214)(H,185,223)(H,186,228)(H,187,240)(H,188,218)(H,189,224)(H,190,207)(H,191,229)(H,192,230)(H,193,231)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,157,158,162)(H4,159,160,163)/t72-,73-,74-,84+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,117+,118+,119+,120+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604356
(CHEMBL5178902)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon receptor
(Rattus norvegicus) | BDBM50098573
(CHEMBL267876 | N-trinitrophenyl-His-Ser-Gln-Gly-Th...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C160H229N49O54S/c1-74(2)52-99(139(239)186-98(47-51-264-11)138(238)194-107(62-120(164)222)150(250)205-126(78(8)214)130(165)230)189-143(243)105(58-85-66-176-91-29-19-18-28-90(85)91)193-137(237)97(43-46-119(163)221)187-155(255)125(76(5)6)204-148(248)103(54-81-24-14-12-15-25-81)192-145(245)108(63-122(224)225)195-136(236)96(42-45-118(162)220)181-131(231)77(7)179-133(233)93(31-22-49-174-159(168)169)182-134(234)94(32-23-50-175-160(170)171)184-152(252)112(70-211)201-147(247)110(65-124(228)229)196-140(240)100(53-75(3)4)188-141(241)101(56-83-33-37-88(217)38-34-83)190-135(235)92(30-20-21-48-173-158(166)167)183-151(251)111(69-210)199-142(242)102(57-84-35-39-89(218)40-36-84)191-146(246)109(64-123(226)227)197-154(254)114(72-213)202-157(257)128(80(10)216)206-149(249)104(55-82-26-16-13-17-27-82)198-156(256)127(79(9)215)203-121(223)68-177-132(232)95(41-44-117(161)219)185-153(253)113(71-212)200-144(244)106(59-86-67-172-73-178-86)180-129-115(208(260)261)60-87(207(258)259)61-116(129)209(262)263/h12-19,24-29,33-40,60-61,66-67,73-80,92-114,125-128,176,180,210-218H,20-23,30-32,41-59,62-65,68-72H2,1-11H3,(H2,161,219)(H2,162,220)(H2,163,221)(H2,164,222)(H2,165,230)(H,172,178)(H,177,232)(H,179,233)(H,181,231)(H,182,234)(H,183,251)(H,184,252)(H,185,253)(H,186,239)(H,187,255)(H,188,241)(H,189,243)(H,190,235)(H,191,246)(H,192,245)(H,193,237)(H,194,238)(H,195,236)(H,196,240)(H,197,254)(H,198,256)(H,199,242)(H,200,244)(H,201,247)(H,202,257)(H,203,223)(H,204,248)(H,205,250)(H,206,249)(H,224,225)(H,226,227)(H,228,229)(H4,166,167,173)(H4,168,169,174)(H4,170,171,175)/t77-,78+,79+,80+,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Compound was evaluated for its ability to displace radiolabelled glucagon (inactive up to 100 microM) |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438219
(CHEMBL2407761)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn(C)c2cnccc12 Show InChI InChI=1S/C25H25N7O2/c1-15(33)31-7-4-17(5-8-31)32-13-16(10-29-32)20-11-28-25(26)24-19(20)9-23(34-24)21-14-30(2)22-12-27-6-3-18(21)22/h3,6,9-14,17H,4-5,7-8H2,1-2H3,(H2,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604355
(CHEMBL5207988)Show SMILES Cc1nc2ccc(cc2n1C)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098566
(CHEMBL413208 | phenylbutyryl-Tyr-Ser-Lys-Tyr-Leu-A...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C123H180N32O33S/c1-63(2)51-83(110(177)142-82(46-50-189-9)109(176)149-89(57-96(127)163)118(185)155-101(67(8)158)102(128)169)145-114(181)88(56-72-60-135-76-29-17-16-28-75(72)76)148-108(175)81(43-45-95(126)162)143-121(188)100(65(5)6)154-117(184)87(53-69-25-14-11-15-26-69)147-115(182)90(58-98(165)166)150-107(174)80(42-44-94(125)161)138-103(170)66(7)136-104(171)78(31-21-48-133-122(129)130)139-105(172)79(32-22-49-134-123(131)132)141-120(187)93(62-157)153-116(183)91(59-99(167)168)151-111(178)84(52-64(3)4)144-113(180)86(55-71-36-40-74(160)41-37-71)146-106(173)77(30-18-19-47-124)140-119(186)92(61-156)152-112(179)85(54-70-34-38-73(159)39-35-70)137-97(164)33-20-27-68-23-12-10-13-24-68/h10-17,23-26,28-29,34-41,60,63-67,77-93,100-101,135,156-160H,18-22,27,30-33,42-59,61-62,124H2,1-9H3,(H2,125,161)(H2,126,162)(H2,127,163)(H2,128,169)(H,136,171)(H,137,164)(H,138,170)(H,139,172)(H,140,186)(H,141,187)(H,142,177)(H,143,188)(H,144,180)(H,145,181)(H,146,173)(H,147,182)(H,148,175)(H,149,176)(H,150,174)(H,151,178)(H,152,179)(H,153,183)(H,154,184)(H,155,185)(H,165,166)(H,167,168)(H4,129,130,133)(H4,131,132,134)/t66-,67+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21.2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
IC50 value of the compound was expressed as inhibition of [125]glucagon specific binding. |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604348
(CHEMBL5170690)Show SMILES COc1ccc(cc1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604361
(CHEMBL5207874)Show SMILES CCOc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438222
(CHEMBL2407757)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-17(6-8-29)30-13-16(10-27-30)20-12-26-24(25)22-19(20)9-21(32-22)18-4-2-3-15-11-28-33-23(15)18/h2-4,9-13,17H,5-8H2,1H3,(H2,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438221
(CHEMBL2407760)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-6-3-16(4-7-29)30-12-15(9-28-30)19-10-27-24(25)23-18(19)8-21(32-23)20-13-33-22-11-26-5-2-17(20)22/h2,5,8-13,16H,3-4,6-7H2,1H3,(H2,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098572
(Ac-Phe-Thr-Ser-Asp-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C135H198N36O41S/c1-65(2)50-87(118(197)154-86(45-49-213-11)117(196)162-94(57-103(139)182)128(207)170-108(69(8)175)110(140)189)157-122(201)93(56-76-61-147-80-29-19-18-28-79(76)80)161-116(195)85(42-44-102(138)181)155-132(211)107(67(5)6)169-127(206)92(53-73-26-16-13-17-27-73)160-123(202)95(58-104(183)184)163-115(194)84(41-43-101(137)180)150-111(190)68(7)148-112(191)82(31-22-47-145-134(141)142)151-113(192)83(32-23-48-146-135(143)144)153-130(209)99(63-173)167-125(204)97(60-106(187)188)164-119(198)88(51-66(3)4)156-120(199)90(54-74-33-37-77(178)38-34-74)158-114(193)81(30-20-21-46-136)152-129(208)98(62-172)166-121(200)91(55-75-35-39-78(179)40-36-75)159-124(203)96(59-105(185)186)165-131(210)100(64-174)168-133(212)109(70(9)176)171-126(205)89(149-71(10)177)52-72-24-14-12-15-25-72/h12-19,24-29,33-40,61,65-70,81-100,107-109,147,172-176,178-179H,20-23,30-32,41-60,62-64,136H2,1-11H3,(H2,137,180)(H2,138,181)(H2,139,182)(H2,140,189)(H,148,191)(H,149,177)(H,150,190)(H,151,192)(H,152,208)(H,153,209)(H,154,197)(H,155,211)(H,156,199)(H,157,201)(H,158,193)(H,159,203)(H,160,202)(H,161,195)(H,162,196)(H,163,194)(H,164,198)(H,165,210)(H,166,200)(H,167,204)(H,168,212)(H,169,206)(H,170,207)(H,171,205)(H,183,184)(H,185,186)(H,187,188)(H4,141,142,145)(H4,143,144,146)/t68-,69+,70+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,107-,108-,109-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
IC50 value of the compound was expressed as inhibition of [125]glucagon specific binding. |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604354
(CHEMBL5185699)Show SMILES Cn1cnc2ccc(cc12)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604359
(CHEMBL5206988)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2ccc(OCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604348
(CHEMBL5170690)Show SMILES COc1ccc(cc1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O | PDB
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604347
(CHEMBL5206904)Show SMILES CCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50438222
(CHEMBL2407757)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2cnsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-17(6-8-29)30-13-16(10-27-30)20-12-26-24(25)22-19(20)9-21(32-22)18-4-2-3-15-11-28-33-23(15)18/h2-4,9-13,17H,5-8H2,1H3,(H2,25,26) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604353
(CHEMBL5183776)Show SMILES FC(F)(F)CNc1ncc2cn(-c3ccc4ncccc4c3)c(=O)c(-c3ccc(Br)cc3)c2n1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604346
(CHEMBL5176577)Show SMILES CCCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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UniChem
| Article
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098570
(CHEMBL438045 | Ser-Gln-Gly-Thr-Thr-Ser-Glu-Tyr-Ser...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C139H212N40O46S/c1-64(2)49-88(123(211)162-87(44-48-226-11)122(210)170-94(55-103(145)192)131(219)178-109(68(8)184)112(146)200)165-127(215)93(54-74-58-153-79-24-16-15-23-77(74)79)169-120(208)85(38-42-102(144)191)163-135(223)108(66(5)6)177-130(218)92(51-71-21-13-12-14-22-71)168-128(216)95(56-106(196)197)171-119(207)84(37-41-101(143)190)156-113(201)67(7)155-116(204)81(26-19-46-151-138(147)148)158-117(205)82(27-20-47-152-139(149)150)160-133(221)98(62-182)174-129(217)96(57-107(198)199)172-124(212)89(50-65(3)4)164-125(213)90(52-72-28-32-75(187)33-29-72)166-118(206)80(25-17-18-45-140)159-132(220)97(61-181)173-126(214)91(53-73-30-34-76(188)35-31-73)167-121(209)86(39-43-105(194)195)161-134(222)99(63-183)175-136(224)111(70(10)186)179-137(225)110(69(9)185)176-104(193)59-154-115(203)83(36-40-100(142)189)157-114(202)78(141)60-180/h12-16,21-24,28-35,58,64-70,78,80-99,108-111,153,180-188H,17-20,25-27,36-57,59-63,140-141H2,1-11H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,145,192)(H2,146,200)(H,154,203)(H,155,204)(H,156,201)(H,157,202)(H,158,205)(H,159,220)(H,160,221)(H,161,222)(H,162,211)(H,163,223)(H,164,213)(H,165,215)(H,166,206)(H,167,209)(H,168,216)(H,169,208)(H,170,210)(H,171,207)(H,172,212)(H,173,214)(H,174,217)(H,175,224)(H,176,193)(H,177,218)(H,178,219)(H,179,225)(H,194,195)(H,196,197)(H,198,199)(H4,147,148,151)(H4,149,150,152)/t67-,68+,69+,70+,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,108-,109-,110-,111-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Compound was evaluated for its ability to displace radiolabelled glucagon |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604345
(CHEMBL5180626)Show SMILES COc1ccc(cc1)-n1cc2cnc(NCC3CC3)nc2c(-c2ccc(Br)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Glucagon receptor
(Rattus norvegicus) | BDBM50098565
(Ac-Tyr-Ser-Lys-Tyr-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C115H172N32O33S/c1-56(2)44-76(102(169)134-75(39-43-181-10)101(168)141-82(50-89(119)156)110(177)147-93(60(8)150)94(120)161)137-106(173)81(49-65-53-127-69-23-15-14-22-68(65)69)140-100(167)74(36-38-88(118)155)135-113(180)92(58(5)6)146-109(176)80(46-62-20-12-11-13-21-62)139-107(174)83(51-90(157)158)142-99(166)73(35-37-87(117)154)130-95(162)59(7)128-96(163)71(25-18-41-125-114(121)122)131-97(164)72(26-19-42-126-115(123)124)133-112(179)86(55-149)145-108(175)84(52-91(159)160)143-103(170)77(45-57(3)4)136-105(172)79(48-64-29-33-67(153)34-30-64)138-98(165)70(24-16-17-40-116)132-111(178)85(54-148)144-104(171)78(129-61(9)151)47-63-27-31-66(152)32-28-63/h11-15,20-23,27-34,53,56-60,70-86,92-93,127,148-150,152-153H,16-19,24-26,35-52,54-55,116H2,1-10H3,(H2,117,154)(H2,118,155)(H2,119,156)(H2,120,161)(H,128,163)(H,129,151)(H,130,162)(H,131,164)(H,132,178)(H,133,179)(H,134,169)(H,135,180)(H,136,172)(H,137,173)(H,138,165)(H,139,174)(H,140,167)(H,141,168)(H,142,166)(H,143,170)(H,144,171)(H,145,175)(H,146,176)(H,147,177)(H,157,158)(H,159,160)(H4,121,122,125)(H4,123,124,126)/t59-,60+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,92-,93-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
IC50 value of the compound was expressed as inhibition of [125]glucagon specific binding. |
J Med Chem 44: 1372-9 (2001)
BindingDB Entry DOI: 10.7270/Q2VH5N3N |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
(Homo sapiens (Human)) | BDBM50438211
(CHEMBL2407795)Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc(O)c1 Show InChI InChI=1S/C23H23N5O3/c1-14(29)27-7-5-17(6-8-27)28-13-16(11-26-28)20-12-25-23(24)22-19(20)10-21(31-22)15-3-2-4-18(30)9-15/h2-4,9-13,17,30H,5-8H2,1H3,(H2,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals LLC
Curated by ChEMBL
| Assay Description
Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP |
Bioorg Med Chem Lett 23: 4517-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.053
BindingDB Entry DOI: 10.7270/Q2ZK5J2K |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
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| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PDE4A (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604352
(CHEMBL5205028)Show SMILES FC(F)(F)CNc1ncc2cn(-c3ccc4ncccc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
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Similars
| PDB
Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PDE4D (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112492
BindingDB Entry DOI: 10.7270/Q2R21511 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucagon receptor
(Rattus norvegicus) | BDBM50104036
(CHEMBL414490 | His-Ser-Gln-Cys-Thr-Phe-Thr-Ser-Cys...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C153H225N43O47S3/c1-72(2)52-97(132(223)175-96(47-51-244-11)131(222)183-104(60-116(159)209)141(232)196-122(78(10)203)151(242)243)178-136(227)103(58-83-63-167-89-29-19-18-28-87(83)89)182-129(220)95(43-46-115(158)208)176-148(239)119(74(5)6)193-139(230)101(54-79-24-14-12-15-25-79)180-137(228)105(61-117(210)211)184-128(219)93(41-44-113(156)206)170-123(214)75(7)169-125(216)91(31-22-49-165-152(160)161)171-126(217)92(32-23-50-166-153(162)163)173-144(235)109(67-199)189-138(229)106(62-118(212)213)185-133(224)98(53-73(3)4)177-134(225)99(56-81-33-37-85(204)38-34-81)179-127(218)90(30-20-21-48-154)172-143(234)108(66-198)188-135(226)100(57-82-35-39-86(205)40-36-82)181-146(237)111-69-245-246-70-112(191-130(221)94(42-45-114(157)207)174-142(233)107(65-197)187-124(215)88(155)59-84-64-164-71-168-84)147(238)195-120(76(8)201)149(240)186-102(55-80-26-16-13-17-27-80)140(231)194-121(77(9)202)150(241)190-110(68-200)145(236)192-111/h12-19,24-29,33-40,63-64,71-78,88,90-112,119-122,167,197-205H,20-23,30-32,41-62,65-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,168)(H,169,216)(H,170,214)(H,171,217)(H,172,234)(H,173,235)(H,174,233)(H,175,223)(H,176,239)(H,177,225)(H,178,227)(H,179,218)(H,180,228)(H,181,237)(H,182,220)(H,183,222)(H,184,219)(H,185,224)(H,186,240)(H,187,215)(H,188,226)(H,189,229)(H,190,241)(H,191,221)(H,192,236)(H,193,230)(H,194,231)(H,195,238)(H,196,232)(H,210,211)(H,212,213)(H,242,243)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Glucagon receptor binding measured as 50% inhibitory concentration |
J Med Chem 44: 3109-16 (2001)
BindingDB Entry DOI: 10.7270/Q2154HR7 |
More data for this
Ligand-Target Pair | |
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