BDBM50342614 CHEMBL1770559::N-((6S,9R)-6-(2,3-difluorophenyl)-2-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nc(CC(F)(F)F)cn3C2)c1F

InChI Key: InChIKey=LEZDWRNJGFRDJB-IIBYNOLFSA-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 = 50342614   

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))	BDBM50342614 (CHEMBL1770559 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nc(CC(F)(F)F)cn3C2)c1F |r| Show InChI InChI=1S/C28H28F5N7O2/c29-20-4-1-3-19(23(20)30)16-6-7-21(25-35-17(13-28(31,32)33)15-39(25)14-16)36-26(41)38-11-8-18(9-12-38)40-22-5-2-10-34-24(22)37-27(40)42/h1-5,10,15-16,18,21H,6-9,11-14H2,(H,36,41)(H,34,37,42)/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	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]-CGRP from human recombinant CGRP receptor				Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50342614 (CHEMBL1770559 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nc(CC(F)(F)F)cn3C2)c1F |r| Show InChI InChI=1S/C28H28F5N7O2/c29-20-4-1-3-19(23(20)30)16-6-7-21(25-35-17(13-28(31,32)33)15-39(25)14-16)36-26(41)38-11-8-18(9-12-38)40-22-5-2-10-34-24(22)37-27(40)42/h1-5,10,15-16,18,21H,6-9,11-14H2,(H,36,41)(H,34,37,42)/t16-,21-/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	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serum				Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50342614 (CHEMBL1770559 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3nc(CC(F)(F)F)cn3C2)c1F |r| Show InChI InChI=1S/C28H28F5N7O2/c29-20-4-1-3-19(23(20)30)16-6-7-21(25-35-17(13-28(31,32)33)15-39(25)14-16)36-26(41)38-11-8-18(9-12-38)40-22-5-2-10-34-24(22)37-27(40)42/h1-5,10,15-16,18,21H,6-9,11-14H2,(H,36,41)(H,34,37,42)/t16-,21-/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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay				Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8
					More data for this Ligand-Target Pair