BDBM50302879 CHEMBL577320::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-1-oxo-3-phenyl-2,8-diazaspiro[4.5]decane-8-carboxamide

SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC(NC4=O)c4ccccc4)CC3)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key: InChIKey=WUJIDDIKIOHUSX-YNDSPKASSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50302879   

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))	BDBM50302879 (CHEMBL577320 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC(NC4=O)c4ccccc4)CC3)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C29H31F5N4O3/c30-21-8-4-7-20(24(21)31)19-9-10-22(25(39)38(16-19)17-29(32,33)34)36-27(41)37-13-11-28(12-14-37)15-23(35-26(28)40)18-5-2-1-3-6-18/h1-8,19,22-23H,9-17H2,(H,35,40)(H,36,41)/t19-,22-,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting				Bioorg Med Chem Lett 19: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50302879 (CHEMBL577320 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC(NC4=O)c4ccccc4)CC3)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C29H31F5N4O3/c30-21-8-4-7-20(24(21)31)19-9-10-22(25(39)38(16-19)17-29(32,33)34)36-27(41)37-13-11-28(12-14-37)15-23(35-26(28)40)18-5-2-1-3-6-18/h1-8,19,22-23H,9-17H2,(H,35,40)(H,36,41)/t19-,22-,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production...				Bioorg Med Chem Lett 19: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50302879 (CHEMBL577320 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC(NC4=O)c4ccccc4)CC3)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C29H31F5N4O3/c30-21-8-4-7-20(24(21)31)19-9-10-22(25(39)38(16-19)17-29(32,33)34)36-27(41)37-13-11-28(12-14-37)15-23(35-26(28)40)18-5-2-1-3-6-18/h1-8,19,22-23H,9-17H2,(H,35,40)(H,36,41)/t19-,22-,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production...				Bioorg Med Chem Lett 19: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
					More data for this Ligand-Target Pair