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PubMed code 1319490

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50453179
PNG
(CHEMBL2369463)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C134H221N43O37/c1-64(2)46-83(156-99(187)58-150-109(191)71(15)154-116(198)84(47-65(3)4)163-114(196)80(38-29-43-147-133(142)143)158-119(201)87(51-77-55-146-63-153-77)168-127(209)102(140)73(17)181)117(199)164-85(48-66(5)6)118(200)171-93(62-180)125(207)160-81(39-30-44-148-134(144)145)115(197)170-91(60-178)111(193)151-56-98(186)149-57-101(189)172-104(68(9)10)130(212)174-105(69(11)12)129(211)161-79(37-26-28-42-136)113(195)166-88(52-95(137)183)121(203)167-89(53-96(138)184)120(202)165-86(50-76-34-23-20-24-35-76)122(204)175-106(70(13)14)132(214)177-45-31-40-94(177)126(208)176-107(74(18)182)131(213)169-90(54-97(139)185)123(205)173-103(67(7)8)128(210)152-59-100(188)157-92(61-179)124(206)159-78(36-25-27-41-135)112(194)155-72(16)110(192)162-82(108(141)190)49-75-32-21-19-22-33-75/h19-24,32-35,55,63-74,78-94,102-107,178-182H,25-31,36-54,56-62,135-136,140H2,1-18H3,(H2,137,183)(H2,138,184)(H2,139,185)(H2,141,190)(H,146,153)(H,149,186)(H,150,191)(H,151,193)(H,152,210)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,192)(H,163,196)(H,164,199)(H,165,202)(H,166,195)(H,167,203)(H,168,209)(H,169,213)(H,170,197)(H,171,200)(H,172,189)(H,173,205)(H,174,212)(H,175,204)(H,176,208)(H4,142,143,147)(H4,144,145,148)/t71-,72-,73+,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50453179
PNG
(CHEMBL2369463)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C134H221N43O37/c1-64(2)46-83(156-99(187)58-150-109(191)71(15)154-116(198)84(47-65(3)4)163-114(196)80(38-29-43-147-133(142)143)158-119(201)87(51-77-55-146-63-153-77)168-127(209)102(140)73(17)181)117(199)164-85(48-66(5)6)118(200)171-93(62-180)125(207)160-81(39-30-44-148-134(144)145)115(197)170-91(60-178)111(193)151-56-98(186)149-57-101(189)172-104(68(9)10)130(212)174-105(69(11)12)129(211)161-79(37-26-28-42-136)113(195)166-88(52-95(137)183)121(203)167-89(53-96(138)184)120(202)165-86(50-76-34-23-20-24-35-76)122(204)175-106(70(13)14)132(214)177-45-31-40-94(177)126(208)176-107(74(18)182)131(213)169-90(54-97(139)185)123(205)173-103(67(7)8)128(210)152-59-100(188)157-92(61-179)124(206)159-78(36-25-27-41-135)112(194)155-72(16)110(192)162-82(108(141)190)49-75-32-21-19-22-33-75/h19-24,32-35,55,63-74,78-94,102-107,178-182H,25-31,36-54,56-62,135-136,140H2,1-18H3,(H2,137,183)(H2,138,184)(H2,139,185)(H2,141,190)(H,146,153)(H,149,186)(H,150,191)(H,151,193)(H,152,210)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,192)(H,163,196)(H,164,199)(H,165,202)(H,166,195)(H,167,203)(H,168,209)(H,169,213)(H,170,197)(H,171,200)(H,172,189)(H,173,205)(H,174,212)(H,175,204)(H,176,208)(H4,142,143,147)(H4,144,145,148)/t71-,72-,73+,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000745
PNG
(CHEMBL2369465 | [Val-Thr-His-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H223N41O38/c1-64(2)46-84(156-100(187)58-149-111(191)72(17)153-118(198)85(47-65(3)4)162-113(193)74(19)155-119(199)88(51-79-55-146-63-152-79)167-134(214)109(76(21)182)176-129(209)103(142)67(7)8)120(200)163-86(48-66(5)6)121(201)170-94(62-180)127(207)159-82(40-32-44-147-136(144)145)117(197)169-92(60-178)114(194)150-56-99(186)148-57-102(189)171-105(69(11)12)132(212)173-106(70(13)14)131(211)160-81(39-29-31-43-138)116(196)165-89(52-96(139)183)123(203)166-90(53-97(140)184)122(202)164-87(50-78-36-26-23-27-37-78)124(204)174-107(71(15)16)135(215)177-45-33-41-95(177)128(208)175-108(75(20)181)133(213)168-91(54-98(141)185)125(205)172-104(68(9)10)130(210)151-59-101(188)157-93(61-179)126(206)158-80(38-28-30-42-137)115(195)154-73(18)112(192)161-83(110(143)190)49-77-34-24-22-25-35-77/h22-27,34-37,55,63-76,80-95,103-109,178-182H,28-33,38-54,56-62,137-138,142H2,1-21H3,(H2,139,183)(H2,140,184)(H2,141,185)(H2,143,190)(H,146,152)(H,148,186)(H,149,191)(H,150,194)(H,151,210)(H,153,198)(H,154,195)(H,155,199)(H,156,187)(H,157,188)(H,158,206)(H,159,207)(H,160,211)(H,161,192)(H,162,193)(H,163,200)(H,164,202)(H,165,196)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,201)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,144,145,147)/t72-,73-,74-,75+,76+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000743
PNG
(CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.900n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50453179
PNG
(CHEMBL2369463)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C134H221N43O37/c1-64(2)46-83(156-99(187)58-150-109(191)71(15)154-116(198)84(47-65(3)4)163-114(196)80(38-29-43-147-133(142)143)158-119(201)87(51-77-55-146-63-153-77)168-127(209)102(140)73(17)181)117(199)164-85(48-66(5)6)118(200)171-93(62-180)125(207)160-81(39-30-44-148-134(144)145)115(197)170-91(60-178)111(193)151-56-98(186)149-57-101(189)172-104(68(9)10)130(212)174-105(69(11)12)129(211)161-79(37-26-28-42-136)113(195)166-88(52-95(137)183)121(203)167-89(53-96(138)184)120(202)165-86(50-76-34-23-20-24-35-76)122(204)175-106(70(13)14)132(214)177-45-31-40-94(177)126(208)176-107(74(18)182)131(213)169-90(54-97(139)185)123(205)173-103(67(7)8)128(210)152-59-100(188)157-92(61-179)124(206)159-78(36-25-27-41-135)112(194)155-72(16)110(192)162-82(108(141)190)49-75-32-21-19-22-33-75/h19-24,32-35,55,63-74,78-94,102-107,178-182H,25-31,36-54,56-62,135-136,140H2,1-18H3,(H2,137,183)(H2,138,184)(H2,139,185)(H2,141,190)(H,146,153)(H,149,186)(H,150,191)(H,151,193)(H,152,210)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,192)(H,163,196)(H,164,199)(H,165,202)(H,166,195)(H,167,203)(H,168,209)(H,169,213)(H,170,197)(H,171,200)(H,172,189)(H,173,205)(H,174,212)(H,175,204)(H,176,208)(H4,142,143,147)(H4,144,145,148)/t71-,72-,73+,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.900n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000745
PNG
(CHEMBL2369465 | [Val-Thr-His-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H223N41O38/c1-64(2)46-84(156-100(187)58-149-111(191)72(17)153-118(198)85(47-65(3)4)162-113(193)74(19)155-119(199)88(51-79-55-146-63-152-79)167-134(214)109(76(21)182)176-129(209)103(142)67(7)8)120(200)163-86(48-66(5)6)121(201)170-94(62-180)127(207)159-82(40-32-44-147-136(144)145)117(197)169-92(60-178)114(194)150-56-99(186)148-57-102(189)171-105(69(11)12)132(212)173-106(70(13)14)131(211)160-81(39-29-31-43-138)116(196)165-89(52-96(139)183)123(203)166-90(53-97(140)184)122(202)164-87(50-78-36-26-23-27-37-78)124(204)174-107(71(15)16)135(215)177-45-33-41-95(177)128(208)175-108(75(20)181)133(213)168-91(54-98(141)185)125(205)172-104(68(9)10)130(210)151-59-101(188)157-93(61-179)126(206)158-80(38-28-30-42-137)115(195)154-73(18)112(192)161-83(110(143)190)49-77-34-24-22-25-35-77/h22-27,34-37,55,63-76,80-95,103-109,178-182H,28-33,38-54,56-62,137-138,142H2,1-21H3,(H2,139,183)(H2,140,184)(H2,141,185)(H2,143,190)(H,146,152)(H,148,186)(H,149,191)(H,150,194)(H,151,210)(H,153,198)(H,154,195)(H,155,199)(H,156,187)(H,157,188)(H,158,206)(H,159,207)(H,160,211)(H,161,192)(H,162,193)(H,163,200)(H,164,202)(H,165,196)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,201)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,144,145,147)/t72-,73-,74-,75+,76+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.30n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000747
PNG
(CHEMBL2369454 | [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-S...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.80n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000749
PNG
(CHEMBL2369458 | [Val-Thr-His-Arg-Ala-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C138H228N44O37/c1-66(2)48-86(161-102(191)60-154-112(195)74(17)158-120(203)87(49-67(3)4)169-118(201)83(40-31-45-151-137(146)147)163-123(206)90(53-80-57-150-65-157-80)168-114(197)76(19)160-131(214)105(144)69(7)8)121(204)170-88(50-68(5)6)122(205)176-96(64-185)129(212)165-84(41-32-46-152-138(148)149)119(202)175-94(62-183)115(198)155-58-101(190)153-59-104(193)177-107(71(11)12)134(217)179-108(72(13)14)133(216)166-82(39-28-30-44-140)117(200)172-91(54-98(141)187)125(208)173-92(55-99(142)188)124(207)171-89(52-79-36-25-22-26-37-79)126(209)180-109(73(15)16)136(219)182-47-33-42-97(182)130(213)181-110(77(20)186)135(218)174-93(56-100(143)189)127(210)178-106(70(9)10)132(215)156-61-103(192)162-95(63-184)128(211)164-81(38-27-29-43-139)116(199)159-75(18)113(196)167-85(111(145)194)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-110,183-186H,27-33,38-56,58-64,139-140,144H2,1-20H3,(H2,141,187)(H2,142,188)(H2,143,189)(H2,145,194)(H,150,157)(H,153,190)(H,154,195)(H,155,198)(H,156,215)(H,158,203)(H,159,199)(H,160,214)(H,161,191)(H,162,192)(H,163,206)(H,164,211)(H,165,212)(H,166,216)(H,167,196)(H,168,197)(H,169,201)(H,170,204)(H,171,207)(H,172,200)(H,173,208)(H,174,218)(H,175,202)(H,176,205)(H,177,193)(H,178,210)(H,179,217)(H,180,209)(H,181,213)(H4,146,147,151)(H4,148,149,152)/t74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000749
PNG
(CHEMBL2369458 | [Val-Thr-His-Arg-Ala-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C138H228N44O37/c1-66(2)48-86(161-102(191)60-154-112(195)74(17)158-120(203)87(49-67(3)4)169-118(201)83(40-31-45-151-137(146)147)163-123(206)90(53-80-57-150-65-157-80)168-114(197)76(19)160-131(214)105(144)69(7)8)121(204)170-88(50-68(5)6)122(205)176-96(64-185)129(212)165-84(41-32-46-152-138(148)149)119(202)175-94(62-183)115(198)155-58-101(190)153-59-104(193)177-107(71(11)12)134(217)179-108(72(13)14)133(216)166-82(39-28-30-44-140)117(200)172-91(54-98(141)187)125(208)173-92(55-99(142)188)124(207)171-89(52-79-36-25-22-26-37-79)126(209)180-109(73(15)16)136(219)182-47-33-42-97(182)130(213)181-110(77(20)186)135(218)174-93(56-100(143)189)127(210)178-106(70(9)10)132(215)156-61-103(192)162-95(63-184)128(211)164-81(38-27-29-43-139)116(199)159-75(18)113(196)167-85(111(145)194)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-110,183-186H,27-33,38-56,58-64,139-140,144H2,1-20H3,(H2,141,187)(H2,142,188)(H2,143,189)(H2,145,194)(H,150,157)(H,153,190)(H,154,195)(H,155,198)(H,156,215)(H,158,203)(H,159,199)(H,160,214)(H,161,191)(H,162,192)(H,163,206)(H,164,211)(H,165,212)(H,166,216)(H,167,196)(H,168,197)(H,169,201)(H,170,204)(H,171,207)(H,172,200)(H,173,208)(H,174,218)(H,175,202)(H,176,205)(H,177,193)(H,178,210)(H,179,217)(H,180,209)(H,181,213)(H4,146,147,151)(H4,148,149,152)/t74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000742
PNG
(CHEMBL2369452 | [His-Arg-Leu-Ala-Gly-Leu-Leu-Ser-A...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C130H214N42O35/c1-63(2)45-82(152-97(181)57-146-106(185)70(15)150-114(193)83(46-64(3)4)159-112(191)79(37-28-42-143-129(138)139)154-108(187)76(133)50-75-54-142-62-149-75)115(194)160-84(47-65(5)6)116(195)166-91(61-175)122(201)156-80(38-29-43-144-130(140)141)113(192)165-89(59-173)109(188)147-55-96(180)145-56-99(183)167-101(67(9)10)126(205)169-102(68(11)12)125(204)157-78(36-25-27-41-132)111(190)162-86(51-93(134)177)118(197)163-87(52-94(135)178)117(196)161-85(49-74-33-22-19-23-34-74)119(198)170-103(69(13)14)128(207)172-44-30-39-92(172)123(202)171-104(72(17)176)127(206)164-88(53-95(136)179)120(199)168-100(66(7)8)124(203)148-58-98(182)153-90(60-174)121(200)155-77(35-24-26-40-131)110(189)151-71(16)107(186)158-81(105(137)184)48-73-31-20-18-21-32-73/h18-23,31-34,54,62-72,76-92,100-104,173-176H,24-30,35-53,55-61,131-133H2,1-17H3,(H2,134,177)(H2,135,178)(H2,136,179)(H2,137,184)(H,142,149)(H,145,180)(H,146,185)(H,147,188)(H,148,203)(H,150,193)(H,151,189)(H,152,181)(H,153,182)(H,154,187)(H,155,200)(H,156,201)(H,157,204)(H,158,186)(H,159,191)(H,160,194)(H,161,196)(H,162,190)(H,163,197)(H,164,206)(H,165,192)(H,166,195)(H,167,183)(H,168,199)(H,169,205)(H,170,198)(H,171,202)(H4,138,139,143)(H4,140,141,144)/t70-,71-,72+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-,101-,102-,103-,104-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000742
PNG
(CHEMBL2369452 | [His-Arg-Leu-Ala-Gly-Leu-Leu-Ser-A...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C130H214N42O35/c1-63(2)45-82(152-97(181)57-146-106(185)70(15)150-114(193)83(46-64(3)4)159-112(191)79(37-28-42-143-129(138)139)154-108(187)76(133)50-75-54-142-62-149-75)115(194)160-84(47-65(5)6)116(195)166-91(61-175)122(201)156-80(38-29-43-144-130(140)141)113(192)165-89(59-173)109(188)147-55-96(180)145-56-99(183)167-101(67(9)10)126(205)169-102(68(11)12)125(204)157-78(36-25-27-41-132)111(190)162-86(51-93(134)177)118(197)163-87(52-94(135)178)117(196)161-85(49-74-33-22-19-23-34-74)119(198)170-103(69(13)14)128(207)172-44-30-39-92(172)123(202)171-104(72(17)176)127(206)164-88(53-95(136)179)120(199)168-100(66(7)8)124(203)148-58-98(182)153-90(60-174)121(200)155-77(35-24-26-40-131)110(189)151-71(16)107(186)158-81(105(137)184)48-73-31-20-18-21-32-73/h18-23,31-34,54,62-72,76-92,100-104,173-176H,24-30,35-53,55-61,131-133H2,1-17H3,(H2,134,177)(H2,135,178)(H2,136,179)(H2,137,184)(H,142,149)(H,145,180)(H,146,185)(H,147,188)(H,148,203)(H,150,193)(H,151,189)(H,152,181)(H,153,182)(H,154,187)(H,155,200)(H,156,201)(H,157,204)(H,158,186)(H,159,191)(H,160,194)(H,161,196)(H,162,190)(H,163,197)(H,164,206)(H,165,192)(H,166,195)(H,167,183)(H,168,199)(H,169,205)(H,170,198)(H,171,202)(H4,138,139,143)(H4,140,141,144)/t70-,71-,72+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-,101-,102-,103-,104-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000742
PNG
(CHEMBL2369452 | [His-Arg-Leu-Ala-Gly-Leu-Leu-Ser-A...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C130H214N42O35/c1-63(2)45-82(152-97(181)57-146-106(185)70(15)150-114(193)83(46-64(3)4)159-112(191)79(37-28-42-143-129(138)139)154-108(187)76(133)50-75-54-142-62-149-75)115(194)160-84(47-65(5)6)116(195)166-91(61-175)122(201)156-80(38-29-43-144-130(140)141)113(192)165-89(59-173)109(188)147-55-96(180)145-56-99(183)167-101(67(9)10)126(205)169-102(68(11)12)125(204)157-78(36-25-27-41-132)111(190)162-86(51-93(134)177)118(197)163-87(52-94(135)178)117(196)161-85(49-74-33-22-19-23-34-74)119(198)170-103(69(13)14)128(207)172-44-30-39-92(172)123(202)171-104(72(17)176)127(206)164-88(53-95(136)179)120(199)168-100(66(7)8)124(203)148-58-98(182)153-90(60-174)121(200)155-77(35-24-26-40-131)110(189)151-71(16)107(186)158-81(105(137)184)48-73-31-20-18-21-32-73/h18-23,31-34,54,62-72,76-92,100-104,173-176H,24-30,35-53,55-61,131-133H2,1-17H3,(H2,134,177)(H2,135,178)(H2,136,179)(H2,137,184)(H,142,149)(H,145,180)(H,146,185)(H,147,188)(H,148,203)(H,150,193)(H,151,189)(H,152,181)(H,153,182)(H,154,187)(H,155,200)(H,156,201)(H,157,204)(H,158,186)(H,159,191)(H,160,194)(H,161,196)(H,162,190)(H,163,197)(H,164,206)(H,165,192)(H,166,195)(H,167,183)(H,168,199)(H,169,205)(H,170,198)(H,171,202)(H4,138,139,143)(H4,140,141,144)/t70-,71-,72+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-,101-,102-,103-,104-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 10n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000744
PNG
(CHEMBL2369464 | [Val-Thr-Ala-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C124H207N39O34/c1-60(2)45-77(144-92(172)55-139-101(176)67(15)142-108(183)78(46-61(3)4)150-103(178)72(127)35-28-42-136-123(132)133)109(184)151-79(47-62(5)6)110(185)157-86(59-166)116(191)147-75(38-29-43-137-124(134)135)107(182)156-84(57-164)104(179)140-53-91(171)138-54-94(174)158-96(64(9)10)120(195)160-97(65(11)12)119(194)148-74(37-25-27-41-126)106(181)153-81(50-88(128)168)112(187)154-82(51-89(129)169)111(186)152-80(49-71-33-22-19-23-34-71)113(188)161-98(66(13)14)122(197)163-44-30-39-87(163)117(192)162-99(69(17)167)121(196)155-83(52-90(130)170)114(189)159-95(63(7)8)118(193)141-56-93(173)145-85(58-165)115(190)146-73(36-24-26-40-125)105(180)143-68(16)102(177)149-76(100(131)175)48-70-31-20-18-21-32-70/h18-23,31-34,60-69,72-87,95-99,164-167H,24-30,35-59,125-127H2,1-17H3,(H2,128,168)(H2,129,169)(H2,130,170)(H2,131,175)(H,138,171)(H,139,176)(H,140,179)(H,141,193)(H,142,183)(H,143,180)(H,144,172)(H,145,173)(H,146,190)(H,147,191)(H,148,194)(H,149,177)(H,150,178)(H,151,184)(H,152,186)(H,153,181)(H,154,187)(H,155,196)(H,156,182)(H,157,185)(H,158,174)(H,159,189)(H,160,195)(H,161,188)(H,162,192)(H4,132,133,136)(H4,134,135,137)/t67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000747
PNG
(CHEMBL2369454 | [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-S...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000746
PNG
(CHEMBL2369457 | [Val-Thr-His-Ala-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H224N44O38/c1-64(2)47-84(159-99(190)58-152-110(194)71(15)156-111(195)72(16)157-115(199)81(39-30-44-149-135(144)145)161-120(204)87(51-78-55-148-63-155-78)170-133(217)108(75(19)185)179-128(212)102(142)66(5)6)118(202)166-85(48-65(3)4)119(203)173-93(62-183)126(210)163-82(40-31-45-150-136(146)147)117(201)172-91(60-181)113(197)153-56-98(189)151-57-101(192)174-104(68(9)10)131(215)176-105(69(11)12)130(214)164-80(38-27-29-43-138)116(200)168-88(52-95(139)186)122(206)169-89(53-96(140)187)121(205)167-86(50-77-35-24-21-25-36-77)123(207)177-106(70(13)14)134(218)180-46-32-41-94(180)127(211)178-107(74(18)184)132(216)171-90(54-97(141)188)124(208)175-103(67(7)8)129(213)154-59-100(191)160-92(61-182)125(209)162-79(37-26-28-42-137)114(198)158-73(17)112(196)165-83(109(143)193)49-76-33-22-20-23-34-76/h20-25,33-36,55,63-75,79-94,102-108,181-185H,26-32,37-54,56-62,137-138,142H2,1-19H3,(H2,139,186)(H2,140,187)(H2,141,188)(H2,143,193)(H,148,155)(H,151,189)(H,152,194)(H,153,197)(H,154,213)(H,156,195)(H,157,199)(H,158,198)(H,159,190)(H,160,191)(H,161,204)(H,162,209)(H,163,210)(H,164,214)(H,165,196)(H,166,202)(H,167,205)(H,168,200)(H,169,206)(H,170,217)(H,171,216)(H,172,201)(H,173,203)(H,174,192)(H,175,208)(H,176,215)(H,177,207)(H,178,211)(H,179,212)(H4,144,145,149)(H4,146,147,150)/t71-,72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000747
PNG
(CHEMBL2369454 | [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-S...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 17.9n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000744
PNG
(CHEMBL2369464 | [Val-Thr-Ala-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C124H207N39O34/c1-60(2)45-77(144-92(172)55-139-101(176)67(15)142-108(183)78(46-61(3)4)150-103(178)72(127)35-28-42-136-123(132)133)109(184)151-79(47-62(5)6)110(185)157-86(59-166)116(191)147-75(38-29-43-137-124(134)135)107(182)156-84(57-164)104(179)140-53-91(171)138-54-94(174)158-96(64(9)10)120(195)160-97(65(11)12)119(194)148-74(37-25-27-41-126)106(181)153-81(50-88(128)168)112(187)154-82(51-89(129)169)111(186)152-80(49-71-33-22-19-23-34-71)113(188)161-98(66(13)14)122(197)163-44-30-39-87(163)117(192)162-99(69(17)167)121(196)155-83(52-90(130)170)114(189)159-95(63(7)8)118(193)141-56-93(173)145-85(58-165)115(190)146-73(36-24-26-40-125)105(180)143-68(16)102(177)149-76(100(131)175)48-70-31-20-18-21-32-70/h18-23,31-34,60-69,72-87,95-99,164-167H,24-30,35-59,125-127H2,1-17H3,(H2,128,168)(H2,129,169)(H2,130,170)(H2,131,175)(H,138,171)(H,139,176)(H,140,179)(H,141,193)(H,142,183)(H,143,180)(H,144,172)(H,145,173)(H,146,190)(H,147,191)(H,148,194)(H,149,177)(H,150,178)(H,151,184)(H,152,186)(H,153,181)(H,154,187)(H,155,196)(H,156,182)(H,157,185)(H,158,174)(H,159,189)(H,160,195)(H,161,188)(H,162,192)(H4,132,133,136)(H4,134,135,137)/t67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000744
PNG
(CHEMBL2369464 | [Val-Thr-Ala-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C124H207N39O34/c1-60(2)45-77(144-92(172)55-139-101(176)67(15)142-108(183)78(46-61(3)4)150-103(178)72(127)35-28-42-136-123(132)133)109(184)151-79(47-62(5)6)110(185)157-86(59-166)116(191)147-75(38-29-43-137-124(134)135)107(182)156-84(57-164)104(179)140-53-91(171)138-54-94(174)158-96(64(9)10)120(195)160-97(65(11)12)119(194)148-74(37-25-27-41-126)106(181)153-81(50-88(128)168)112(187)154-82(51-89(129)169)111(186)152-80(49-71-33-22-19-23-34-71)113(188)161-98(66(13)14)122(197)163-44-30-39-87(163)117(192)162-99(69(17)167)121(196)155-83(52-90(130)170)114(189)159-95(63(7)8)118(193)141-56-93(173)145-85(58-165)115(190)146-73(36-24-26-40-125)105(180)143-68(16)102(177)149-76(100(131)175)48-70-31-20-18-21-32-70/h18-23,31-34,60-69,72-87,95-99,164-167H,24-30,35-59,125-127H2,1-17H3,(H2,128,168)(H2,129,169)(H2,130,170)(H2,131,175)(H,138,171)(H,139,176)(H,140,179)(H,141,193)(H,142,183)(H,143,180)(H,144,172)(H,145,173)(H,146,190)(H,147,191)(H,148,194)(H,149,177)(H,150,178)(H,151,184)(H,152,186)(H,153,181)(H,154,187)(H,155,196)(H,156,182)(H,157,185)(H,158,174)(H,159,189)(H,160,195)(H,161,188)(H,162,192)(H4,132,133,136)(H4,134,135,137)/t67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000749
PNG
(CHEMBL2369458 | [Val-Thr-His-Arg-Ala-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C138H228N44O37/c1-66(2)48-86(161-102(191)60-154-112(195)74(17)158-120(203)87(49-67(3)4)169-118(201)83(40-31-45-151-137(146)147)163-123(206)90(53-80-57-150-65-157-80)168-114(197)76(19)160-131(214)105(144)69(7)8)121(204)170-88(50-68(5)6)122(205)176-96(64-185)129(212)165-84(41-32-46-152-138(148)149)119(202)175-94(62-183)115(198)155-58-101(190)153-59-104(193)177-107(71(11)12)134(217)179-108(72(13)14)133(216)166-82(39-28-30-44-140)117(200)172-91(54-98(141)187)125(208)173-92(55-99(142)188)124(207)171-89(52-79-36-25-22-26-37-79)126(209)180-109(73(15)16)136(219)182-47-33-42-97(182)130(213)181-110(77(20)186)135(218)174-93(56-100(143)189)127(210)178-106(70(9)10)132(215)156-61-103(192)162-95(63-184)128(211)164-81(38-27-29-43-139)116(199)159-75(18)113(196)167-85(111(145)194)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-110,183-186H,27-33,38-56,58-64,139-140,144H2,1-20H3,(H2,141,187)(H2,142,188)(H2,143,189)(H2,145,194)(H,150,157)(H,153,190)(H,154,195)(H,155,198)(H,156,215)(H,158,203)(H,159,199)(H,160,214)(H,161,191)(H,162,192)(H,163,206)(H,164,211)(H,165,212)(H,166,216)(H,167,196)(H,168,197)(H,169,201)(H,170,204)(H,171,207)(H,172,200)(H,173,208)(H,174,218)(H,175,202)(H,176,205)(H,177,193)(H,178,210)(H,179,217)(H,180,209)(H,181,213)(H4,146,147,151)(H4,148,149,152)/t74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000745
PNG
(CHEMBL2369465 | [Val-Thr-His-Arg-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H223N41O38/c1-64(2)46-84(156-100(187)58-149-111(191)72(17)153-118(198)85(47-65(3)4)162-113(193)74(19)155-119(199)88(51-79-55-146-63-152-79)167-134(214)109(76(21)182)176-129(209)103(142)67(7)8)120(200)163-86(48-66(5)6)121(201)170-94(62-180)127(207)159-82(40-32-44-147-136(144)145)117(197)169-92(60-178)114(194)150-56-99(186)148-57-102(189)171-105(69(11)12)132(212)173-106(70(13)14)131(211)160-81(39-29-31-43-138)116(196)165-89(52-96(139)183)123(203)166-90(53-97(140)184)122(202)164-87(50-78-36-26-23-27-37-78)124(204)174-107(71(15)16)135(215)177-45-33-41-95(177)128(208)175-108(75(20)181)133(213)168-91(54-98(141)185)125(205)172-104(68(9)10)130(210)151-59-101(188)157-93(61-179)126(206)158-80(38-28-30-42-137)115(195)154-73(18)112(192)161-83(110(143)190)49-77-34-24-22-25-35-77/h22-27,34-37,55,63-76,80-95,103-109,178-182H,28-33,38-54,56-62,137-138,142H2,1-21H3,(H2,139,183)(H2,140,184)(H2,141,185)(H2,143,190)(H,146,152)(H,148,186)(H,149,191)(H,150,194)(H,151,210)(H,153,198)(H,154,195)(H,155,199)(H,156,187)(H,157,188)(H,158,206)(H,159,207)(H,160,211)(H,161,192)(H,162,193)(H,163,200)(H,164,202)(H,165,196)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,201)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,144,145,147)/t72-,73-,74-,75+,76+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000746
PNG
(CHEMBL2369457 | [Val-Thr-His-Ala-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H224N44O38/c1-64(2)47-84(159-99(190)58-152-110(194)71(15)156-111(195)72(16)157-115(199)81(39-30-44-149-135(144)145)161-120(204)87(51-78-55-148-63-155-78)170-133(217)108(75(19)185)179-128(212)102(142)66(5)6)118(202)166-85(48-65(3)4)119(203)173-93(62-183)126(210)163-82(40-31-45-150-136(146)147)117(201)172-91(60-181)113(197)153-56-98(189)151-57-101(192)174-104(68(9)10)131(215)176-105(69(11)12)130(214)164-80(38-27-29-43-138)116(200)168-88(52-95(139)186)122(206)169-89(53-96(140)187)121(205)167-86(50-77-35-24-21-25-36-77)123(207)177-106(70(13)14)134(218)180-46-32-41-94(180)127(211)178-107(74(18)184)132(216)171-90(54-97(141)188)124(208)175-103(67(7)8)129(213)154-59-100(191)160-92(61-182)125(209)162-79(37-26-28-42-137)114(198)158-73(17)112(196)165-83(109(143)193)49-76-33-22-20-23-34-76/h20-25,33-36,55,63-75,79-94,102-108,181-185H,26-32,37-54,56-62,137-138,142H2,1-19H3,(H2,139,186)(H2,140,187)(H2,141,188)(H2,143,193)(H,148,155)(H,151,189)(H,152,194)(H,153,197)(H,154,213)(H,156,195)(H,157,199)(H,158,198)(H,159,190)(H,160,191)(H,161,204)(H,162,209)(H,163,210)(H,164,214)(H,165,196)(H,166,202)(H,167,205)(H,168,200)(H,169,206)(H,170,217)(H,171,216)(H,172,201)(H,173,203)(H,174,192)(H,175,208)(H,176,215)(H,177,207)(H,178,211)(H,179,212)(H4,144,145,149)(H4,146,147,150)/t71-,72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


Citation and Details
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000746
PNG
(CHEMBL2369457 | [Val-Thr-His-Ala-Leu-Ala-Gly-Leu-L...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C136H224N44O38/c1-64(2)47-84(159-99(190)58-152-110(194)71(15)156-111(195)72(16)157-115(199)81(39-30-44-149-135(144)145)161-120(204)87(51-78-55-148-63-155-78)170-133(217)108(75(19)185)179-128(212)102(142)66(5)6)118(202)166-85(48-65(3)4)119(203)173-93(62-183)126(210)163-82(40-31-45-150-136(146)147)117(201)172-91(60-181)113(197)153-56-98(189)151-57-101(192)174-104(68(9)10)131(215)176-105(69(11)12)130(214)164-80(38-27-29-43-138)116(200)168-88(52-95(139)186)122(206)169-89(53-96(140)187)121(205)167-86(50-77-35-24-21-25-36-77)123(207)177-106(70(13)14)134(218)180-46-32-41-94(180)127(211)178-107(74(18)184)132(216)171-90(54-97(141)188)124(208)175-103(67(7)8)129(213)154-59-100(191)160-92(61-182)125(209)162-79(37-26-28-42-137)114(198)158-73(17)112(196)165-83(109(143)193)49-76-33-22-20-23-34-76/h20-25,33-36,55,63-75,79-94,102-108,181-185H,26-32,37-54,56-62,137-138,142H2,1-19H3,(H2,139,186)(H2,140,187)(H2,141,188)(H2,143,193)(H,148,155)(H,151,189)(H,152,194)(H,153,197)(H,154,213)(H,156,195)(H,157,199)(H,158,198)(H,159,190)(H,160,191)(H,161,204)(H,162,209)(H,163,210)(H,164,214)(H,165,196)(H,166,202)(H,167,205)(H,168,200)(H,169,206)(H,170,217)(H,171,216)(H,172,201)(H,173,203)(H,174,192)(H,175,208)(H,176,215)(H,177,207)(H,178,211)(H,179,212)(H4,144,145,149)(H4,146,147,150)/t71-,72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 33n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%