BDBM100871 US8507477, 12

SMILES: CC(C)N1C(=O)N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C(C)(C1=O)c1ccccc1

InChI Key: InChIKey=MPLXWSJVOSISNE-JYUUXGOASA-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 = 100871   

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))	BDBM100871 (US8507477, 12) Show SMILES CC(C)N1C(=O)N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C(C)(C1=O)c1ccccc1 |r| Show InChI InChI=1S/C32H29N5O3/c1-19(2)37-29(39)31(3,24-8-5-4-6-9-24)36(30(37)40)18-20-12-21-13-22-15-32(16-23(22)14-26(21)34-17-20)25-10-7-11-33-27(25)35-28(32)38/h4-14,17,19H,15-16,18H2,1-3H3,(H,33,35,38)/t31?,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp & Dohme, Corp. US Patent					Assay Description Receptor binding assay.				US Patent US8507477 (2013) BindingDB Entry DOI: 10.7270/Q20000Q1
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