BDBM50342618 CHEMBL1770563::N-((6S,9R)-6-(2,3-difluorophenyl)-3-(hydroxymethyl)-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: OCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O

InChI Key: InChIKey=SOKXKOCJIVAZNC-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 = 50342618   

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))	BDBM50342618 (CHEMBL1770563 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES OCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r| Show InChI InChI=1S/C27H29F2N7O3/c28-20-4-1-3-19(23(20)29)16-6-7-21(25-31-13-18(15-37)35(25)14-16)32-26(38)34-11-8-17(9-12-34)36-22-5-2-10-30-24(22)33-27(36)39/h1-5,10,13,16-17,21,37H,6-9,11-12,14-15H2,(H,32,38)(H,30,33,39)/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	2.5	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))	BDBM50342618 (CHEMBL1770563 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES OCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r| Show InChI InChI=1S/C27H29F2N7O3/c28-20-4-1-3-19(23(20)29)16-6-7-21(25-31-13-18(15-37)35(25)14-16)32-26(38)34-11-8-17(9-12-34)36-22-5-2-10-30-24(22)33-27(36)39/h1-5,10,13,16-17,21,37H,6-9,11-12,14-15H2,(H,32,38)(H,30,33,39)/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	12	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))	BDBM50342618 (CHEMBL1770563 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES OCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r| Show InChI InChI=1S/C27H29F2N7O3/c28-20-4-1-3-19(23(20)29)16-6-7-21(25-31-13-18(15-37)35(25)14-16)32-26(38)34-11-8-17(9-12-34)36-22-5-2-10-30-24(22)33-27(36)39/h1-5,10,13,16-17,21,37H,6-9,11-12,14-15H2,(H,32,38)(H,30,33,39)/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	7.90	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