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 = 'BDBM50246128'   

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))	BDBM50246128 ((R)-2-(4-methoxy-2-oxo-2,3-dihydro-1H-benzo[d]imid...) Show SMILES COc1cccc2n(CC(=O)Nc3ccc4C[C@]5(Cc4c3)N(C)C(=O)NC5=O)c(=O)[nH]c12 |r| Show InChI InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-6-7-14(8-13(12)10-22)23-17(28)11-27-15-4-3-5-16(32-2)18(15)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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))	BDBM50246128 ((R)-2-(4-methoxy-2-oxo-2,3-dihydro-1H-benzo[d]imid...) Show SMILES COc1cccc2n(CC(=O)Nc3ccc4C[C@]5(Cc4c3)N(C)C(=O)NC5=O)c(=O)[nH]c12 |r| Show InChI InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-6-7-14(8-13(12)10-22)23-17(28)11-27-15-4-3-5-16(32-2)18(15)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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))	BDBM50246128 ((R)-2-(4-methoxy-2-oxo-2,3-dihydro-1H-benzo[d]imid...) Show SMILES COc1cccc2n(CC(=O)Nc3ccc4C[C@]5(Cc4c3)N(C)C(=O)NC5=O)c(=O)[nH]c12 |r| Show InChI InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-6-7-14(8-13(12)10-22)23-17(28)11-27-15-4-3-5-16(32-2)18(15)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	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