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 = 'BDBM50255067'   

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))	BDBM50255067 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	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 CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255067 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255067 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p...				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair