Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50246312'   

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))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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