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 = 'BDBM50342622'   

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))	BDBM50342622 (CHEMBL1770567 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncc(-c4nccs4)n3C2)c1F |r| Show InChI InChI=1S/C29H28F2N8O2S/c30-20-4-1-3-19(24(20)31)17-6-7-21(26-34-15-23(38(26)16-17)27-33-11-14-42-27)35-28(40)37-12-8-18(9-13-37)39-22-5-2-10-32-25(22)36-29(39)41/h1-5,10-11,14-15,17-18,21H,6-9,12-13,16H2,(H,35,40)(H,32,36,41)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	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]-CGRP from human recombinant CGRP receptor				Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50342622 (CHEMBL1770567 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncc(-c4nccs4)n3C2)c1F |r| Show InChI InChI=1S/C29H28F2N8O2S/c30-20-4-1-3-19(24(20)31)17-6-7-21(26-34-15-23(38(26)16-17)27-33-11-14-42-27)35-28(40)37-12-8-18(9-13-37)39-22-5-2-10-32-25(22)36-29(39)41/h1-5,10-11,14-15,17-18,21H,6-9,12-13,16H2,(H,35,40)(H,32,36,41)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay				Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50342622 (CHEMBL1770567 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncc(-c4nccs4)n3C2)c1F |r| Show InChI InChI=1S/C29H28F2N8O2S/c30-20-4-1-3-19(24(20)31)17-6-7-21(26-34-15-23(38(26)16-17)27-33-11-14-42-27)35-28(40)37-12-8-18(9-13-37)39-22-5-2-10-32-25(22)36-29(39)41/h1-5,10-11,14-15,17-18,21H,6-9,12-13,16H2,(H,35,40)(H,32,36,41)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serum				Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8
					More data for this Ligand-Target Pair