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 = 'BDBM50224412'   

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))	BDBM50224412 (CHEMBL392635 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(Cc3ccccn3)C2)c1F Show InChI InChI=1S/C30H31F2N7O3/c31-23-7-3-6-22(26(23)32)19-9-10-24(28(40)38(17-19)18-20-5-1-2-13-33-20)35-29(41)37-15-11-21(12-16-37)39-25-8-4-14-34-27(25)36-30(39)42/h1-8,13-14,19,21,24H,9-12,15-18H2,(H,35,41)(H,34,36,42)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	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]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224412 (CHEMBL392635 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(Cc3ccccn3)C2)c1F Show InChI InChI=1S/C30H31F2N7O3/c31-23-7-3-6-22(26(23)32)19-9-10-24(28(40)38(17-19)18-20-5-1-2-13-33-20)35-29(41)37-15-11-21(12-16-37)39-25-8-4-14-34-27(25)36-30(39)42/h1-8,13-14,19,21,24H,9-12,15-18H2,(H,35,41)(H,34,36,42)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224412 (CHEMBL392635 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(Cc3ccccn3)C2)c1F Show InChI InChI=1S/C30H31F2N7O3/c31-23-7-3-6-22(26(23)32)19-9-10-24(28(40)38(17-19)18-20-5-1-2-13-33-20)35-29(41)37-15-11-21(12-16-37)39-25-8-4-14-34-27(25)36-30(39)42/h1-8,13-14,19,21,24H,9-12,15-18H2,(H,35,41)(H,34,36,42)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production in presence of 50% human serum				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair