Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50150390'   

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))	BDBM50150390 (CHEMBL3770990) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C32H42ClN7O2/c1-23-19-24(20-25-22-34-36-30(23)25)21-29(31(41)39-13-9-28(10-14-39)37-11-3-2-4-12-37)35-32(42)40-17-15-38(16-18-40)27-7-5-26(33)6-8-27/h5-8,19-20,22,28-29H,2-4,9-18,21H2,1H3,(H,34,36)(H,35,42)/t29-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Discovery Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter				Bioorg Med Chem Lett 26: 1229-32 (2016) Article DOI: 10.1016/j.bmcl.2016.01.026 BindingDB Entry DOI: 10.7270/Q2NG4SH3
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