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 = 'BDBM50342616'   

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))	BDBM50342616 (CHEMBL1770561 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Cc1cn2C[C@@H](CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c2n1)c1cccc(F)c1F |r| Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-35-15-17(19-4-2-5-20(28)23(19)29)7-8-21(25(35)31-16)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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))	BDBM50342616 (CHEMBL1770561 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Cc1cn2C[C@@H](CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c2n1)c1cccc(F)c1F |r| Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-35-15-17(19-4-2-5-20(28)23(19)29)7-8-21(25(35)31-16)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70	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))	BDBM50342616 (CHEMBL1770561 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) Show SMILES Cc1cn2C[C@@H](CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c2n1)c1cccc(F)c1F |r| Show InChI InChI=1S/C27H29F2N7O2/c1-16-14-35-15-17(19-4-2-5-20(28)23(19)29)7-8-21(25(35)31-16)32-26(37)34-12-9-18(10-13-34)36-22-6-3-11-30-24(22)33-27(36)38/h2-6,11,14,17-18,21H,7-10,12-13,15H2,1H3,(H,32,37)(H,30,33,38)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	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