Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50224429'   

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))	BDBM50224429 (CHEMBL238275 | N-[(3R)-6-(4-hydroxyphenyl)-2-oxoaz...) Show SMILES Oc1ccc(cc1)C1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1 |w:7.7| Show InChI InChI=1S/C24H28N6O4/c31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	770	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))	BDBM50224429 (CHEMBL238275 | N-[(3R)-6-(4-hydroxyphenyl)-2-oxoaz...) Show SMILES Oc1ccc(cc1)C1CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C(=O)NC1 |w:7.7| Show InChI InChI=1S/C24H28N6O4/c31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)/t16?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	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