BDBM50150457 CHEMBL3769530

SMILES: Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2cccc(Cl)c2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=VXGARKPAVLJQQY-HHHXNRCGSA-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 = 50150457   

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))	BDBM50150457 (CHEMBL3769530) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2cccc(Cl)c2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C32H41Cl2N7O2/c1-22-18-23(19-24-21-35-37-30(22)24)20-27(31(42)40-12-8-25(9-13-40)38-10-3-2-4-11-38)36-32(43)41-16-14-39(15-17-41)28-7-5-6-26(33)29(28)34/h5-7,18-19,21,25,27H,2-4,8-17,20H2,1H3,(H,35,37)(H,36,43)/t27-/m1/s1	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	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