Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50246699'   

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 1 (Homo sapiens (Human))	BDBM50246699 (Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVG[Hyp]FA...) 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)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(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)=O)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](CCCCNC(N)=N)C(=O)N[C@@H](CCCCN)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(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C160H246N44O42/c1-79(2)58-105(181-120(213)73-174-132(219)87(17)178-139(226)106(59-80(3)4)187-137(224)102(50-37-55-170-159(166)245)183-143(230)111(65-96-70-168-78-177-96)192-156(243)130(90(20)208)202-154(241)127(85(13)14)198-146(233)110(180-91(21)209)64-95-69-172-99-47-32-31-46-98(95)99)141(228)188-107(60-81(5)6)142(229)195-115(77-206)148(235)184-103(51-38-56-171-160(167)246)138(225)194-114(76-205)134(221)175-71-119(212)173-72-121(214)196-125(83(9)10)153(240)199-126(84(11)12)152(239)185-101(49-34-36-54-169-158(164)165)135(222)182-100(48-33-35-53-161)136(223)190-112(67-118(162)211)144(231)189-109(63-94-44-29-24-30-45-94)145(232)200-128(86(15)16)157(244)203-57-39-52-116(203)149(236)201-129(89(19)207)155(242)193-113(68-123(216)217)147(234)197-124(82(7)8)151(238)176-74-122(215)204-75-97(210)66-117(204)150(237)191-108(62-93-42-27-23-28-43-93)140(227)179-88(18)133(220)186-104(131(163)218)61-92-40-25-22-26-41-92/h22-32,40-47,69-70,78-90,97,100-117,124-130,172,205-208,210H,33-39,48-68,71-77,161H2,1-21H3,(H2,162,211)(H2,163,218)(H,168,177)(H,173,212)(H,174,219)(H,175,221)(H,176,238)(H,178,226)(H,179,227)(H,180,209)(H,181,213)(H,182,222)(H,183,230)(H,184,235)(H,185,239)(H,186,220)(H,187,224)(H,188,228)(H,189,231)(H,190,223)(H,191,237)(H,192,243)(H,193,242)(H,194,225)(H,195,229)(H,196,214)(H,197,234)(H,198,233)(H,199,240)(H,200,232)(H,201,236)(H,202,241)(H,216,217)(H4,164,165,169)(H3,166,170,245)(H3,167,171,246)/t87-,88-,89+,90+,97+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,124-,125-,126-,127-,128-,129-,130-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation				J Med Chem 51: 7889-97 (2008) Article DOI: 10.1021/jm8009298 BindingDB Entry DOI: 10.7270/Q2P26Z0C
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