BDBM50329171 (S)-N-(3,5-difluorobenzyl)-N-((2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-3-yl)methyl)pivalamide::CHEMBL1270197

SMILES: CC(C)(C)C(=O)N(Cc1cc(F)cc(F)c1)Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41

InChI Key: InChIKey=PQEJSMQCJQGFFY-HKBQPEDESA-N

Data: 1 KI

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 = 50329171   

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 type 1 receptor (Homo sapiens (Human))	BDBM50329171 ((S)-N-(3,5-difluorobenzyl)-N-((2'-oxo-1',2',6,8-te...) Show SMILES CC(C)(C)C(=O)N(Cc1cc(F)cc(F)c1)Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r| Show InChI InChI=1S/C31H28F2N4O2/c1-30(2,3)29(39)37(16-18-8-23(32)12-24(33)9-18)17-19-7-20-10-21-13-31(14-22(21)11-26(20)35-15-19)25-5-4-6-34-27(25)36-28(31)38/h4-12,15H,13-14,16-17H2,1-3H3,(H,34,36,38)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6827-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.105 BindingDB Entry DOI: 10.7270/Q2Z89CNJ
					More data for this Ligand-Target Pair