BDBM50302881 CHEMBL570746::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide

SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key: InChIKey=RCACDZUECGFLCL-DNVCBOLYSA-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 = 50302881   

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))	BDBM50302881 (CHEMBL570746 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C26H26F5N5O4/c27-18-5-1-3-16(20(18)28)15-6-7-19(22(37)36(13-15)14-26(29,30)31)33-23(38)35-11-8-25(9-12-35)17-4-2-10-32-21(17)34-24(39)40-25/h1-5,10,15,19H,6-9,11-14H2,(H,33,38)(H,32,34,39)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	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))	BDBM50302881 (CHEMBL570746 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C26H26F5N5O4/c27-18-5-1-3-16(20(18)28)15-6-7-19(22(37)36(13-15)14-26(29,30)31)33-23(38)35-11-8-25(9-12-35)17-4-2-10-32-21(17)34-24(39)40-25/h1-5,10,15,19H,6-9,11-14H2,(H,33,38)(H,32,34,39)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	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))	BDBM50302881 (CHEMBL570746 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C26H26F5N5O4/c27-18-5-1-3-16(20(18)28)15-6-7-19(22(37)36(13-15)14-26(29,30)31)33-23(38)35-11-8-25(9-12-35)17-4-2-10-32-21(17)34-24(39)40-25/h1-5,10,15,19H,6-9,11-14H2,(H,33,38)(H,32,34,39)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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