Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50224423'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50224423 (CHEMBL239630 | N-[(3R,6S)-6-(2-fluorophenyl)-2-oxo...) Show SMILES Fc1ccccc1[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1 Show InChI InChI=1S/C24H27FN6O3/c25-18-5-2-1-4-17(18)15-7-8-19(22(32)27-14-15)28-23(33)30-12-9-16(10-13-30)31-20-6-3-11-26-21(20)29-24(31)34/h1-6,11,15-16,19H,7-10,12-14H2,(H,27,32)(H,28,33)(H,26,29,34)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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))	BDBM50224423 (CHEMBL239630 | N-[(3R,6S)-6-(2-fluorophenyl)-2-oxo...) Show SMILES Fc1ccccc1[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1 Show InChI InChI=1S/C24H27FN6O3/c25-18-5-2-1-4-17(18)15-7-8-19(22(32)27-14-15)28-23(33)30-12-9-16(10-13-30)31-20-6-3-11-26-21(20)29-24(31)34/h1-6,11,15-16,19H,7-10,12-14H2,(H,27,32)(H,28,33)(H,26,29,34)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224423 (CHEMBL239630 | N-[(3R,6S)-6-(2-fluorophenyl)-2-oxo...) Show SMILES Fc1ccccc1[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1 Show InChI InChI=1S/C24H27FN6O3/c25-18-5-2-1-4-17(18)15-7-8-19(22(32)27-14-15)28-23(33)30-12-9-16(10-13-30)31-20-6-3-11-26-21(20)29-24(31)34/h1-6,11,15-16,19H,7-10,12-14H2,(H,27,32)(H,28,33)(H,26,29,34)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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