BDBM50224415 CHEMBL237849::N-[(3R,6S)-1-(2,2-difluoroethyl)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

SMILES: FC(F)CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F

InChI Key: InChIKey=JATCZIYRLPWDHO-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 = 50224415   

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))	BDBM50224415 (CHEMBL237849 | N-[(3R,6S)-1-(2,2-difluoroethyl)-6-...) Show SMILES FC(F)CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H28F4N6O3/c27-18-4-1-3-17(22(18)30)15-6-7-19(24(37)35(13-15)14-21(28)29)32-25(38)34-11-8-16(9-12-34)36-20-5-2-10-31-23(20)33-26(36)39/h1-5,10,15-16,19,21H,6-9,11-14H2,(H,32,38)(H,31,33,39)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224415 (CHEMBL237849 | N-[(3R,6S)-1-(2,2-difluoroethyl)-6-...) Show SMILES FC(F)CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H28F4N6O3/c27-18-4-1-3-17(22(18)30)15-6-7-19(24(37)35(13-15)14-21(28)29)32-25(38)34-11-8-16(9-12-34)36-20-5-2-10-31-23(20)33-26(36)39/h1-5,10,15-16,19,21H,6-9,11-14H2,(H,32,38)(H,31,33,39)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production in presence of 50% human serum				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224415 (CHEMBL237849 | N-[(3R,6S)-1-(2,2-difluoroethyl)-6-...) Show SMILES FC(F)CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H28F4N6O3/c27-18-4-1-3-17(22(18)30)15-6-7-19(24(37)35(13-15)14-21(28)29)32-25(38)34-11-8-16(9-12-34)36-20-5-2-10-31-23(20)33-26(36)39/h1-5,10,15-16,19,21H,6-9,11-14H2,(H,32,38)(H,31,33,39)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair