Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 1172   

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 1 (Homo sapiens (Human))	BDBM311886 (N-[(2R)-1-[4-(1H-imidazol-2-yl)-1,4'-bipiperidin-1...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2ncc[nH]2)cc2cn[nH]c12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM312053 (5-{1'-[(2R)-3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nnc([nH]2)C(O)=O)cc2cn[nH]c12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM312050 (US10166226, Example 6 | ethyl 5-{1'-[(2R)-3-(7-met...) Show SMILES CCOC(=O)c1nnc([nH]1)C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM311913 (N-[(2R)-1-[4-(4-methyl-1H-imidazol-5-yl)-1,4'-bipi...) Show SMILES Cc1nc[nH]c1C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM312052 (N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(5-methy...) Show SMILES Cc1nnc([nH]1)C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM312002 (N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(4-methy...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nncn2C)cc2cn[nH]c12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM312049 (4-(7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-N-{(2R...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccc(F)cc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nncn2C)cc2cn[nH]c12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM311965 (N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-(1...) Show SMILES CCCn1ccnc1C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide 1 (Homo sapiens (Human))	BDBM312051 (N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-(4...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nnc[nH]2)cc2cn[nH]c12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...				US Patent US10166226 (2019) BindingDB Entry DOI: 10.7270/Q28C9ZBC
					More data for this Ligand-Target Pair