Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50246713'   

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))	BDBM50246713 (Ac-WVTH[Cit]LAGLLS[Cit]SGGVV[hArg]KNFVPTDVGP[Tic]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](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)N1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C161H246N44O41/c1-80(2)60-106(182-121(213)74-175-133(219)88(17)179-140(226)107(61-81(3)4)188-138(224)103(50-36-56-171-160(167)245)184-143(229)111(67-98-71-169-79-178-98)192-156(242)131(91(20)209)202-154(240)128(86(13)14)198-146(232)110(181-92(21)210)65-97-70-173-100-47-31-30-46-99(97)100)141(227)189-108(62-82(5)6)142(228)195-115(78-207)148(234)185-104(51-37-57-172-161(168)246)139(225)194-114(77-206)135(221)176-72-120(212)174-73-122(214)196-126(84(9)10)153(239)199-127(85(11)12)152(238)186-102(49-33-35-55-170-159(165)166)136(222)183-101(48-32-34-54-162)137(223)191-112(68-119(163)211)144(230)190-109(64-94-42-26-23-27-43-94)145(231)200-129(87(15)16)158(244)204-59-38-52-116(204)149(235)201-130(90(19)208)155(241)193-113(69-124(216)217)147(233)197-125(83(7)8)151(237)177-75-123(215)203-58-39-53-117(203)157(243)205-76-96-45-29-28-44-95(96)66-118(205)150(236)180-89(18)134(220)187-105(132(164)218)63-93-40-24-22-25-41-93/h22-31,40-47,70-71,79-91,101-118,125-131,173,206-209H,32-39,48-69,72-78,162H2,1-21H3,(H2,163,211)(H2,164,218)(H,169,178)(H,174,212)(H,175,219)(H,176,221)(H,177,237)(H,179,226)(H,180,236)(H,181,210)(H,182,213)(H,183,222)(H,184,229)(H,185,234)(H,186,238)(H,187,220)(H,188,224)(H,189,227)(H,190,230)(H,191,223)(H,192,242)(H,193,241)(H,194,225)(H,195,228)(H,196,214)(H,197,233)(H,198,232)(H,199,239)(H,200,231)(H,201,235)(H,202,240)(H,216,217)(H4,165,166,170)(H3,167,171,245)(H3,168,172,246)/t88-,89-,90+,91+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-,127-,128-,129-,130-,131-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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
					More data for this Ligand-Target Pair