BDBM50150394 CHEMBL3770407

SMILES: Cc1ccc(C2CCN(CC2)C(=O)N[C@H](Cc2cc(C)c3[nH]ncc3c2)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c1

InChI Key: InChIKey=UQLOLQPXCFNBCX-WJOKGBTCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150394   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50150394 (CHEMBL3770407) Show SMILES Cc1ccc(C2CCN(CC2)C(=O)N[C@H](Cc2cc(C)c3[nH]ncc3c2)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c1 |r| Show InChI InChI=1S/C34H45ClN6O2/c1-23-6-7-29(30(35)18-23)26-8-14-41(15-9-26)34(43)37-31(21-25-19-24(2)32-27(20-25)22-36-38-32)33(42)40-16-10-28(11-17-40)39-12-4-3-5-13-39/h6-7,18-20,22,26,28,31H,3-5,8-17,21H2,1-2H3,(H,36,38)(H,37,43)/t31-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	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) BindingDB Entry DOI: 10.7270/Q2NG4SH3
					More data for this Ligand-Target Pair