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 = 'BDBM50246368'   

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))	BDBM50246368 ((R)-4-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCCC(N)=O)c3=O)cc2C1 |r| Show InChI InChI=1S/C25H26N6O5/c1-29-23(35)28-22(34)25(29)12-15-8-9-17(11-16(15)13-25)27-21(33)14-31-19-6-3-2-5-18(19)30(24(31)36)10-4-7-20(26)32/h2-3,5-6,8-9,11H,4,7,10,12-14H2,1H3,(H2,26,32)(H,27,33)(H,28,34,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246368 ((R)-4-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCCC(N)=O)c3=O)cc2C1 |r| Show InChI InChI=1S/C25H26N6O5/c1-29-23(35)28-22(34)25(29)12-15-8-9-17(11-16(15)13-25)27-21(33)14-31-19-6-3-2-5-18(19)30(24(31)36)10-4-7-20(26)32/h2-3,5-6,8-9,11H,4,7,10,12-14H2,1H3,(H2,26,32)(H,27,33)(H,28,34,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Antagonist activity against human cloned CGRP receptor expressed in HEK93 cells assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246368 ((R)-4-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCCC(N)=O)c3=O)cc2C1 |r| Show InChI InChI=1S/C25H26N6O5/c1-29-23(35)28-22(34)25(29)12-15-8-9-17(11-16(15)13-25)27-21(33)14-31-19-6-3-2-5-18(19)30(24(31)36)10-4-7-20(26)32/h2-3,5-6,8-9,11H,4,7,10,12-14H2,1H3,(H2,26,32)(H,27,33)(H,28,34,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Antagonist activity against human cloned CGRP receptor expressed in HEK93 cells assessed as inhibition of CGRP-induced cAMP production in presence of...				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair