Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'kampschulte' and Initial = 'n'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50591916 (CHEMBL5177903) Show SMILES O\N=C\Nc1ccc(N2CCOCC2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50591916 (CHEMBL5177903) Show SMILES O\N=C\Nc1ccc(N2CCOCC2)c(Cl)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50591916 (CHEMBL5177903) Show SMILES O\N=C\Nc1ccc(N2CCOCC2)c(Cl)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50106737 (CHEMBL267865 | N-(4-Butyl-2-methyl-phenyl)-N'-hydr...) Show SMILES CCCCc1ccc(NC=NO)c(C)c1 |w:10.10| Show InChI InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50591918 (7-METHOXYFLAVONE | 7-Methoxyflavone) Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4F2 (Homo sapiens (Human))	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4F2 (Homo sapiens (Human))	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM26664 (7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4F2 (Homo sapiens (Human))	BDBM50591917 (CHEBI:69527 | RUBIARBONONE C | Rubiarbonone C) Show SMILES [H][C@]12[C@H](O)C[C@@H](C(C)C)[C@]1(COC(C)=O)CC[C@@]1(C)[C@]3([H])[C@@H](O)C[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C |r,c:38| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair
Cytochrome P450 4A11 (Homo sapiens)	BDBM50591915 (CHEMBL2130955) Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(=O)c2ccccc2o1 Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114332 BindingDB Entry DOI: 10.7270/Q20P1410
					More data for this Ligand-Target Pair