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 = 'BDBM50224436'   

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))	BDBM50224436 (CHEMBL398575 | N-[(3R,6S)-1-(cyclopropylmethyl)-2-...) Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C28H34N6O3/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37/h1-7,14,19,21-23H,8-13,15-18H2,(H,30,36)(H,29,31,37)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50224436 (CHEMBL398575 | N-[(3R,6S)-1-(cyclopropylmethyl)-2-...) Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C28H34N6O3/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37/h1-7,14,19,21-23H,8-13,15-18H2,(H,30,36)(H,29,31,37)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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))	BDBM50224436 (CHEMBL398575 | N-[(3R,6S)-1-(cyclopropylmethyl)-2-...) Show SMILES O=C(N[C@@H]1CC[C@H](CN(CC2CC2)C1=O)c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C28H34N6O3/c35-26-23(11-10-21(20-5-2-1-3-6-20)18-33(26)17-19-8-9-19)30-27(36)32-15-12-22(13-16-32)34-24-7-4-14-29-25(24)31-28(34)37/h1-7,14,19,21-23H,8-13,15-18H2,(H,30,36)(H,29,31,37)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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