BDBM50224432 CHEMBL237848::N-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

SMILES: CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F

InChI Key: InChIKey=OGIBPYRHRUGSMY-OXQOHEQNSA-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 = 50224432   

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))	BDBM50224432 (CHEMBL237848 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H30F2N6O3/c1-2-32-15-16(18-5-3-6-19(27)22(18)28)8-9-20(24(32)35)30-25(36)33-13-10-17(11-14-33)34-21-7-4-12-29-23(21)31-26(34)37/h3-7,12,16-17,20H,2,8-11,13-15H2,1H3,(H,30,36)(H,29,31,37)/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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))	BDBM50224432 (CHEMBL237848 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H30F2N6O3/c1-2-32-15-16(18-5-3-6-19(27)22(18)28)8-9-20(24(32)35)30-25(36)33-13-10-17(11-14-33)34-21-7-4-12-29-23(21)31-26(34)37/h3-7,12,16-17,20H,2,8-11,13-15H2,1H3,(H,30,36)(H,29,31,37)/t16-,20-/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	30	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))	BDBM50224432 (CHEMBL237848 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H30F2N6O3/c1-2-32-15-16(18-5-3-6-19(27)22(18)28)8-9-20(24(32)35)30-25(36)33-13-10-17(11-14-33)34-21-7-4-12-29-23(21)31-26(34)37/h3-7,12,16-17,20H,2,8-11,13-15H2,1H3,(H,30,36)(H,29,31,37)/t16-,20-/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	6	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