Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50062220'   

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 (Homo sapiens (Human))	BDBM50062220 (CHEMBL269328 | YVPTNVGSHAF) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C55H78N14O16/c1-27(2)43(52(81)59-24-42(74)62-39(25-70)50(79)63-36(21-33-23-58-26-60-33)48(77)61-29(5)46(75)65-38(55(84)85)20-31-11-8-7-9-12-31)66-49(78)37(22-41(57)73)64-53(82)45(30(6)71)68-51(80)40-13-10-18-69(40)54(83)44(28(3)4)67-47(76)35(56)19-32-14-16-34(72)17-15-32/h7-9,11-12,14-17,23,26-30,35-40,43-45,70-72H,10,13,18-22,24-25,56H2,1-6H3,(H2,57,73)(H,58,60)(H,59,81)(H,61,77)(H,62,74)(H,63,79)(H,64,82)(H,65,75)(H,66,78)(H,67,76)(H,68,80)(H,84,85)/t29-,30+,35-,36-,37-,38-,39-,40-,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zürich Curated by ChEMBL					Assay Description CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.				J Med Chem 41: 117-23 (1998) Article DOI: 10.1021/jm970533r BindingDB Entry DOI: 10.7270/Q2736Q0S
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