BDBM50150393 CHEMBL3770965

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=UQLLVEMMKHWVMV-GDLZYMKVSA-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 = 50150393   

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))	BDBM50150393 (CHEMBL3770965) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C32H43N7O2/c1-24-20-25(21-26-23-33-35-30(24)26)22-29(31(40)38-14-10-28(11-15-38)36-12-6-3-7-13-36)34-32(41)39-18-16-37(17-19-39)27-8-4-2-5-9-27/h2,4-5,8-9,20-21,23,28-29H,3,6-7,10-19,22H2,1H3,(H,33,35)(H,34,41)/t29-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	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