BDBM50342624 CHEMBL1770714::N-((6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl)-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: COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O

InChI Key: InChIKey=DJPVYVKVYULAAE-VGOFRKELSA-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 = 50342624   

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))	BDBM50342624 (CHEMBL1770714 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r| Show InChI InChI=1S/C28H31F2N7O3/c1-40-16-19-14-32-26-22(8-7-17(15-36(19)26)20-4-2-5-21(29)24(20)30)33-27(38)35-12-9-18(10-13-35)37-23-6-3-11-31-25(23)34-28(37)39/h2-6,11,14,17-18,22H,7-10,12-13,15-16H2,1H3,(H,33,38)(H,31,34,39)/t17-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	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]-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))	BDBM50342624 (CHEMBL1770714 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r| Show InChI InChI=1S/C28H31F2N7O3/c1-40-16-19-14-32-26-22(8-7-17(15-36(19)26)20-4-2-5-21(29)24(20)30)33-27(38)35-12-9-18(10-13-35)37-23-6-3-11-31-25(23)34-28(37)39/h2-6,11,14,17-18,22H,7-10,12-13,15-16H2,1H3,(H,33,38)(H,31,34,39)/t17-,22-/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	1.90	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 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))	BDBM50342624 (CHEMBL1770714 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES COCc1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r| Show InChI InChI=1S/C28H31F2N7O3/c1-40-16-19-14-32-26-22(8-7-17(15-36(19)26)20-4-2-5-21(29)24(20)30)33-27(38)35-12-9-18(10-13-35)37-23-6-3-11-31-25(23)34-28(37)39/h2-6,11,14,17-18,22H,7-10,12-13,15-16H2,1H3,(H,33,38)(H,31,34,39)/t17-,22-/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	0.630	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