BDBM50224424 CHEMBL237661::N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1Himidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)NC2)c1F

InChI Key: InChIKey=LDQFBBAHZQASTE-RDTXWAMCSA-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 = 50224424   

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))	BDBM50224424 (CHEMBL237661 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)NC2)c1F Show InChI InChI=1S/C24H26F2N6O3/c25-17-4-1-3-16(20(17)26)14-6-7-18(22(33)28-13-14)29-23(34)31-11-8-15(9-12-31)32-19-5-2-10-27-21(19)30-24(32)35/h1-5,10,14-15,18H,6-9,11-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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))	BDBM50224424 (CHEMBL237661 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)NC2)c1F Show InChI InChI=1S/C24H26F2N6O3/c25-17-4-1-3-16(20(17)26)14-6-7-18(22(33)28-13-14)29-23(34)31-11-8-15(9-12-31)32-19-5-2-10-27-21(19)30-24(32)35/h1-5,10,14-15,18H,6-9,11-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t14-,18-/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	22	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))	BDBM50224424 (CHEMBL237661 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)NC2)c1F Show InChI InChI=1S/C24H26F2N6O3/c25-17-4-1-3-16(20(17)26)14-6-7-18(22(33)28-13-14)29-23(34)31-11-8-15(9-12-31)32-19-5-2-10-27-21(19)30-24(32)35/h1-5,10,14-15,18H,6-9,11-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t14-,18-/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	14	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