Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50001854   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM50164279 ((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...) Show SMILES CC(C)C[C@H](CN)CC(O)=O |r| Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM50557449 (CHEMBL4744000) Show SMILES [H][C@@]12CCCN1c1nc(NCC)ncc1C(=O)N(C2)c1cccc(c1)-c1noc(C)n1 |r| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM436318 (2-(ethylamino)-9- methyl-6-(3-(5-methyl- 1,3,4-oxa...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O Show InChI InChI=1S/C19H21N7O2/c1-4-20-19-21-11-15-16(22-19)25(3)8-9-26(18(15)27)14-7-5-6-13(10-14)17-24-23-12(2)28-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,20,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM436247 (9-methyl-6-(3-(5- methyl-1,3,4- oxadiazol-2- yl)ph...) Show SMILES CSc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O Show InChI InChI=1S/C18H18N6O2S/c1-11-21-22-16(26-11)12-5-4-6-13(9-12)24-8-7-23(2)15-14(17(24)25)10-19-18(20-15)27-3/h4-6,9-10H,7-8H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM436321 (9-methyl-6-(3-(5- methyl-1,3,4- oxadiazol-2-yl)phe...) Show SMILES CNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O Show InChI InChI=1S/C18H19N7O2/c1-11-22-23-16(27-11)12-5-4-6-13(9-12)25-8-7-24(3)15-14(17(25)26)10-20-18(19-2)21-15/h4-6,9-10H,7-8H2,1-3H3,(H,19,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2 (Homo sapiens (Human))	BDBM388642 (Reboxe- tine | US9944618, Compound ID No. 178) Show SMILES CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair