Found 277 hits with Last Name = 'rutledge' and Initial = 'rz' 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 |
|---|
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
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| PDB
Article
PubMed
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry Merck & Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells |
Bioorg Med Chem Lett 16: 2595-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50356281
(CHEMBL1910953)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](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@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 |r| Show InChI InChI=1S/C163H269N51O49S2/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)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)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/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2 |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50356281
(CHEMBL1910953)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](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@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 |r| Show InChI InChI=1S/C163H269N51O49S2/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)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)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/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,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-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50356282
(CHEMBL1910936)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
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AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50224431
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1 | PDB
Reactome pathway
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MMDB
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PDB
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Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192553
((R)-4-(4-(3-methoxyphenyl)-2-oxo-2,3-dihydroimidaz...)Show SMILES COc1cccc(c1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:23| Show InChI InChI=1S/C33H31F3N6O4/c1-46-24-11-7-10-22(18-24)26-19-41(32(45)37-26)23-14-16-40(17-15-23)31(44)39-29-30(43)42(20-33(34,35)36)27-13-6-5-12-25(27)28(38-29)21-8-3-2-4-9-21/h2-13,18-19,23,29H,14-17,20H2,1H3,(H,37,45)(H,39,44)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217493
(CHEMBL235237 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C31H37N5O3/c37-29-27(14-13-25(23-7-3-1-4-8-23)20-35(29)19-22-11-12-22)32-30(38)34-17-15-26(16-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39)/t25-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50000743
(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 |r| 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
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2 |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50000743
(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 |r| 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
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2 |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192539
((R)-4-(2-oxo-4-p-tolyl-2,3-dihydroimidazol-1-yl)-N...)Show SMILES Cc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:22| Show InChI InChI=1S/C33H31F3N6O3/c1-21-11-13-22(14-12-21)26-19-41(32(45)37-26)24-15-17-40(18-16-24)31(44)39-29-30(43)42(20-33(34,35)36)27-10-6-5-9-25(27)28(38-29)23-7-3-2-4-8-23/h2-14,19,24,29H,15-18,20H2,1H3,(H,37,45)(H,39,44)/t29-/m0/s1 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50356279
(CHEMBL1910937)Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2 |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50356279
(CHEMBL1910937)Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1 | PDB
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PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2 |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM50356279
(CHEMBL1910937)Show SMILES CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C25H29Br2N5O4/c1-30(2)23(34)21(13-15-11-18(26)22(33)19(27)12-15)29-24(35)31-9-7-17(8-10-31)32-14-16-5-3-4-6-20(16)28-25(32)36/h3-6,11-12,17,21,33H,7-10,13-14H2,1-2H3,(H,28,36)(H,29,35)/t21-/m1/s1 | PDB
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PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay |
Bioorg Med Chem Lett 21: 6705-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192542
((R)-4-(4-(4-fluorophenyl)-2-oxo-2,3-dihydroimidazo...)Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:22| Show InChI InChI=1S/C32H28F4N6O3/c33-22-12-10-20(11-13-22)25-18-41(31(45)37-25)23-14-16-40(17-15-23)30(44)39-28-29(43)42(19-32(34,35)36)26-9-5-4-8-24(26)27(38-28)21-6-2-1-3-7-21/h1-13,18,23,28H,14-17,19H2,(H,37,45)(H,39,44)/t28-/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192564
((R)-4-(2-oxo-4-phenyl-2,3-dihydroimidazol-1-yl)-N-...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C32H29F3N6O3/c33-32(34,35)20-41-26-14-8-7-13-24(26)27(22-11-5-2-6-12-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-25(36-31(40)44)21-9-3-1-4-10-21/h1-14,19,23,28H,15-18,20H2,(H,36,44)(H,38,43)/t28-/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192551
((R)-4-(4-(3-fluorophenyl)-2-oxo-2,3-dihydroimidazo...)Show SMILES Fc1cccc(c1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:22| Show InChI InChI=1S/C32H28F4N6O3/c33-22-10-6-9-21(17-22)25-18-41(31(45)37-25)23-13-15-40(16-14-23)30(44)39-28-29(43)42(19-32(34,35)36)26-12-5-4-11-24(26)27(38-28)20-7-2-1-3-8-20/h1-12,17-18,23,28H,13-16,19H2,(H,37,45)(H,39,44)/t28-/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192540
((R)-4-(4-(4-(difluoromethoxy)phenyl)-2-oxo-2,3-dih...)Show SMILES FC(F)Oc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:25| Show InChI InChI=1S/C33H29F5N6O4/c34-30(35)48-23-12-10-20(11-13-23)25-18-43(32(47)39-25)22-14-16-42(17-15-22)31(46)41-28-29(45)44(19-33(36,37)38)26-9-5-4-8-24(26)27(40-28)21-6-2-1-3-7-21/h1-13,18,22,28,30H,14-17,19H2,(H,39,47)(H,41,46)/t28-/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192559
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1ccccc1 |r,c:13| Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-21-10-5-4-9-20(21)23(18-7-2-1-3-8-18)34-25(26(38)40)36-27(41)37-15-12-19(13-16-37)39-22-11-6-14-33-24(22)35-28(39)42/h1-11,14,19,25H,12-13,15-17H2,(H,36,41)(H,33,35,42)/t25-/m0/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217495
(CHEMBL429262 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37)/t23-,27-/m1/s1 | PDB
KEGG
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PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192576
((R)-4-(5-oxo-3-phenyl-4,5-dihydro-1,2,4-triazol-1-...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2nc([nH]c2=O)-c2ccccc2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C31H28F3N7O3/c32-31(33,34)19-40-24-14-8-7-13-23(24)25(20-9-3-1-4-10-20)35-27(28(40)42)37-29(43)39-17-15-22(16-18-39)41-30(44)36-26(38-41)21-11-5-2-6-12-21/h1-14,22,27H,15-19H2,(H,37,43)(H,36,38,44)/t27-/m0/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192571
((R)-4-(2-oxo-4-(pyridin-2-yl)-2,3-dihydroimidazol-...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccn2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C31H28F3N7O3/c32-31(33,34)19-41-25-12-5-4-10-22(25)26(20-8-2-1-3-9-20)37-27(28(41)42)38-29(43)39-16-13-21(14-17-39)40-18-24(36-30(40)44)23-11-6-7-15-35-23/h1-12,15,18,21,27H,13-14,16-17,19H2,(H,36,44)(H,38,43)/t27-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192570
((R)-4-(2-oxo-1,2-dihydronaphtho[1,2-d]imidazol-3-y...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccc4ccccc4c3[nH]c2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C34H29F3N6O3/c35-34(36,37)20-42-26-13-7-6-12-25(26)28(22-9-2-1-3-10-22)38-30(31(42)44)40-32(45)41-18-16-23(17-19-41)43-27-15-14-21-8-4-5-11-24(21)29(27)39-33(43)46/h1-15,23,30H,16-20H2,(H,39,46)(H,40,45)/t30-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192575
((R)-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-oxo-5-phen...)Show SMILES Oc1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |r,t:15| Show InChI InChI=1S/C26H25F3N6O4/c27-26(28,29)15-35-19-9-5-4-8-18(19)21(16-6-2-1-3-7-16)31-22(23(35)37)32-24(38)33-12-10-17(11-13-33)34-14-20(36)30-25(34)39/h1-9,14,17,22,36H,10-13,15H2,(H,30,39)(H,32,38)/t22-/m0/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217485
(CHEMBL394229 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1CCc2ccccc2NC1=O Show InChI InChI=1S/C31H39N5O3/c37-29-28(13-12-25(23-6-2-1-3-7-23)21-35(29)20-22-10-11-22)33-30(38)34-17-15-26(16-18-34)36-19-14-24-8-4-5-9-27(24)32-31(36)39/h1-9,22,25-26,28H,10-21H2,(H,32,39)(H,33,38)/t25-,28-/m1/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217488
(CHEMBL392132 | N-((3R,6S)-1-(cyclopropylmethyl)-2-...)Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C30H36N6O3/c37-28-26(14-13-24(22-7-3-1-4-8-22)20-35(28)19-21-11-12-21)31-29(38)34-17-15-25(16-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39)/t24-,26-/m1/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217486
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-6-phe...)Show SMILES O=C(NC1CCC(CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37) | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217486
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-6-phe...)Show SMILES O=C(NC1CCC(CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C30H37N5O3/c36-28-27(13-12-23(22-6-2-1-3-7-22)19-34(28)18-21-10-11-21)32-29(37)33-16-14-25(15-17-33)35-20-24-8-4-5-9-26(24)31-30(35)38/h1-9,21,23,25,27H,10-20H2,(H,31,38)(H,32,37) | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217483
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-5-phe...)Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C31H37N5O3/c37-29-27(19-25(23-7-3-1-4-8-23)13-16-35(29)20-22-11-12-22)32-30(38)34-17-14-26(15-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217483
((cis racemic)-N-(1-(cyclopropylmethyl)-2-oxo-5-phe...)Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C31H37N5O3/c37-29-27(19-25(23-7-3-1-4-8-23)13-16-35(29)20-22-11-12-22)32-30(38)34-17-14-26(15-18-34)36-21-28(33-31(36)39)24-9-5-2-6-10-24/h1-10,21-22,25-27H,11-20H2,(H,32,38)(H,33,39) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50184071
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1 | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry Merck & Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells |
Bioorg Med Chem Lett 16: 2595-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50184071
((R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(2-...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C31H29F3N6O3/c32-31(33,34)19-40-25-13-7-5-11-23(25)26(20-8-2-1-3-9-20)36-27(28(40)41)37-29(42)38-16-14-22(15-17-38)39-18-21-10-4-6-12-24(21)35-30(39)43/h1-13,22,27H,14-19H2,(H,35,43)(H,37,42)/t27-/m0/s1 | PDB
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192538
((R)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cncnc3[nH]c2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C28H25F3N8O3/c29-28(30,31)15-38-20-9-5-4-8-19(20)22(17-6-2-1-3-7-17)34-24(25(38)40)36-26(41)37-12-10-18(11-13-37)39-21-14-32-16-33-23(21)35-27(39)42/h1-9,14,16,18,24H,10-13,15H2,(H,36,41)(H,32,33,35,42)/t24-/m0/s1 | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217498
((R,Z)-N-(1-isopropyl-2-oxo-5-phenyl-2,3-dihydro-1H...)Show SMILES CC(C)N1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C32H34N6O3/c1-21(2)38-27-15-9-7-13-25(27)28(22-10-4-3-5-11-22)34-29(30(38)39)35-31(40)36-18-16-24(17-19-36)37-20-23-12-6-8-14-26(23)33-32(37)41/h3-15,21,24,29H,16-20H2,1-2H3,(H,33,41)(H,35,40)/t29-/m0/s1 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50184072
((R)-4-(2-oxo-1,2,4,5-tetrahydrobenzo[d][1,3]diazep...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-13-7-5-11-24(26)27(22-9-2-1-3-10-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-14-21-8-4-6-12-25(21)36-31(40)44/h1-13,23,28H,14-20H2,(H,36,44)(H,38,43)/t28-/m0/s1 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry Merck & Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells |
Bioorg Med Chem Lett 16: 2595-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50184074
((R)-N-(3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-(4-...)Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)c2ccccc2)cc1Br Show InChI InChI=1S/C32H34Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-16-14-37(15-17-38)22-6-2-1-3-7-22)36-31(43)39-12-10-23(11-13-39)40-28-9-5-4-8-26(28)35-32(40)44/h1-9,18-19,23,27,41H,10-17,20H2,(H,35,44)(H,36,43)/t27-/m1/s1 | PDB
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry Merck & Co.
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells |
Bioorg Med Chem Lett 16: 2595-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.051
BindingDB Entry DOI: 10.7270/Q2HT2NX8 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192552
((R)-4-(2-oxo-4-(4-(trifluoromethoxy)phenyl)-2,3-di...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccc(OC(F)(F)F)cc2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C33H28F6N6O4/c34-32(35,36)19-45-26-9-5-4-8-24(26)27(21-6-2-1-3-7-21)41-28(29(45)46)42-30(47)43-16-14-22(15-17-43)44-18-25(40-31(44)48)20-10-12-23(13-11-20)49-33(37,38)39/h1-13,18,22,28H,14-17,19H2,(H,40,48)(H,42,47)/t28-/m0/s1 | PDB
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192561
((R)-methyl 1-(1-((2-oxo-5-phenyl-1-(2,2,2-trifluor...)Show SMILES COC(=O)c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:18| Show InChI InChI=1S/C28H27F3N6O5/c1-42-25(39)20-15-36(27(41)32-20)18-11-13-35(14-12-18)26(40)34-23-24(38)37(16-28(29,30)31)21-10-6-5-9-19(21)22(33-23)17-7-3-2-4-8-17/h2-10,15,18,23H,11-14,16H2,1H3,(H,32,41)(H,34,40)/t23-/m0/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192569
((R)-4-(4-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3cccc(Cl)c3[nH]c2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C30H26ClF3N6O3/c31-21-10-6-12-23-25(21)36-29(43)40(23)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)22-11-5-4-9-20(22)24(35-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,36,43)(H,37,42)/t26-/m0/s1 | PDB
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| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192555
((R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyrazin-1-yl...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3nccnc3[nH]c2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C28H25F3N8O3/c29-28(30,31)16-38-20-9-5-4-8-19(20)21(17-6-2-1-3-7-17)34-23(25(38)40)36-26(41)37-14-10-18(11-15-37)39-24-22(35-27(39)42)32-12-13-33-24/h1-9,12-13,18,23H,10-11,14-16H2,(H,36,41)(H,32,35,42)/t23-/m0/s1 | PDB
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| 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192568
((R)-4-(4-(4-methoxyphenyl)-2-oxo-2,3-dihydroimidaz...)Show SMILES COc1ccc(cc1)-c1cn(C2CCN(CC2)C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(F)(F)F)C2=O)c(=O)[nH]1 |t:23| Show InChI InChI=1S/C33H31F3N6O4/c1-46-24-13-11-21(12-14-24)26-19-41(32(45)37-26)23-15-17-40(18-16-23)31(44)39-29-30(43)42(20-33(34,35)36)27-10-6-5-9-25(27)28(38-29)22-7-3-2-4-8-22/h2-14,19,23,29H,15-18,20H2,1H3,(H,37,45)(H,39,44)/t29-/m0/s1 | PDB
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| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192560
((R)-4-(5-(methylsulfonyl)-2-oxo-2,3-dihydrobenzo[d...)Show SMILES CS(=O)(=O)c1ccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c2c1 |t:20| Show InChI InChI=1S/C31H29F3N6O5S/c1-46(44,45)21-11-12-25-23(17-21)35-30(43)40(25)20-13-15-38(16-14-20)29(42)37-27-28(41)39(18-31(32,33)34)24-10-6-5-9-22(24)26(36-27)19-7-3-2-4-8-19/h2-12,17,20,27H,13-16,18H2,1H3,(H,35,43)(H,37,42)/t27-/m0/s1 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217491
((cis racemic)-N-((3R)-1-(cyclopropylmethyl)-2-oxo-...)Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C30H36N6O3/c37-28-26(19-24(22-7-3-1-4-8-22)13-16-35(28)20-21-11-12-21)31-29(38)34-17-14-25(15-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39) | PDB
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50217491
((cis racemic)-N-((3R)-1-(cyclopropylmethyl)-2-oxo-...)Show SMILES O=C(NC1CC(CCN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1nc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C30H36N6O3/c37-28-26(19-24(22-7-3-1-4-8-22)13-16-35(28)20-21-11-12-21)31-29(38)34-17-14-25(15-18-34)36-30(39)32-27(33-36)23-9-5-2-6-10-23/h1-10,21,24-26H,11-20H2,(H,31,38)(H,32,33,39) | PDB
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| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes |
Bioorg Med Chem Lett 17: 4795-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.062
BindingDB Entry DOI: 10.7270/Q2JS9Q4D |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192558
((R)-4-(2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-3(4...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccnc3NC2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-23-11-5-4-10-22(23)24(19-7-2-1-3-8-19)35-26(27(40)41)37-28(42)38-15-12-21(13-16-38)39-17-20-9-6-14-34-25(20)36-29(39)43/h1-11,14,21,26H,12-13,15-18H2,(H,37,42)(H,34,36,43)/t26-/m0/s1 | PDB
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| 295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192554
((R)-4-(2-oxo-1,2-dihydropyrido[4,3-d]pyrimidin-3(4...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3cnccc3NC2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-24-9-5-4-8-22(24)25(19-6-2-1-3-7-19)36-26(27(40)41)37-28(42)38-14-11-21(12-15-38)39-17-20-16-34-13-10-23(20)35-29(39)43/h1-10,13,16,21,26H,11-12,14-15,17-18H2,(H,35,43)(H,37,42)/t26-/m0/s1 | PDB
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| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192573
(4-(2-oxo-4-phenylimidazolidin-1-yl)-N-((R)-2-oxo-5...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2CC(NC2=O)c2ccccc2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C32H31F3N6O3/c33-32(34,35)20-41-26-14-8-7-13-24(26)27(22-11-5-2-6-12-22)37-28(29(41)42)38-30(43)39-17-15-23(16-18-39)40-19-25(36-31(40)44)21-9-3-1-4-10-21/h1-14,23,25,28H,15-20H2,(H,36,44)(H,38,43)/t25?,28-/m0/s1 | PDB
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| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192579
((R)-4-(2-oxo-1,2-dihydropyrido[3,4-d]pyrimidin-3(4...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccncc3NC2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C30H28F3N7O3/c31-30(32,33)18-40-24-9-5-4-8-22(24)25(19-6-2-1-3-7-19)36-26(27(40)41)37-28(42)38-14-11-21(12-15-38)39-17-20-10-13-34-16-23(20)35-29(39)43/h1-10,13,16,21,26H,11-12,14-15,17-18H2,(H,35,43)(H,37,42)/t26-/m0/s1 | PDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192550
((R)-4-(4-fluoro-2-oxo-2,3-dihydrobenzo[d]imidazol-...)Show SMILES Fc1cccc2n(C3CCN(CC3)C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)c(=O)[nH]c12 |t:18| Show InChI InChI=1S/C30H26F4N6O3/c31-21-10-6-12-23-25(21)36-29(43)40(23)19-13-15-38(16-14-19)28(42)37-26-27(41)39(17-30(32,33)34)22-11-5-4-9-20(22)24(35-26)18-7-2-1-3-8-18/h1-12,19,26H,13-17H2,(H,36,43)(H,37,42)/t26-/m0/s1 | PDB
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| 375 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50192581
((R)-4-(2-oxo-1,2-dihydroimidazo[4,5-b]pyridin-3-yl...)Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ncccc3[nH]c2=O)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-22-11-5-4-9-20(22)23(18-7-2-1-3-8-18)35-24(26(38)40)36-27(41)37-15-12-19(13-16-37)39-25-21(34-28(39)42)10-6-14-33-25/h1-11,14,19,24H,12-13,15-17H2,(H,34,42)(H,36,41)/t24-/m0/s1 | PDB
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| 427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor |
Bioorg Med Chem Lett 16: 5052-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX |
More data for this
Ligand-Target Pair | |
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