Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50048612   

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
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50222264 (CHEMBL552736) Show SMILES Br.CN1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1 Show InChI InChI=1S/C17H19NO2S/c1-18-9-7-12-11-15(19)16(20)17(14(12)8-10-18)21-13-5-3-2-4-6-13/h2-6,11,19-20H,7-10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50222266 (CHEMBL369006) Show SMILES CN1CCc2c(Cl)c(O)c(O)c(Sc3ccccc3)c2CC1 Show InChI InChI=1S/C17H18ClNO2S/c1-19-9-7-12-13(8-10-19)17(16(21)15(20)14(12)18)22-11-5-3-2-4-6-11/h2-6,20-21H,7-10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50222265 (CHEMBL541633) Show SMILES Br.Oc1cc2CCNCCc2c(Sc2ccccc2)c1O Show InChI InChI=1S/C16H17NO2S/c18-14-10-11-6-8-17-9-7-13(11)16(15(14)19)20-12-4-2-1-3-5-12/h1-5,10,17-19H,6-9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50222264 (CHEMBL552736) Show SMILES Br.CN1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1 Show InChI InChI=1S/C17H19NO2S/c1-18-9-7-12-11-15(19)16(20)17(14(12)8-10-18)21-13-5-3-2-4-6-13/h2-6,11,19-20H,7-10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50222266 (CHEMBL369006) Show SMILES CN1CCc2c(Cl)c(O)c(O)c(Sc3ccccc3)c2CC1 Show InChI InChI=1S/C17H18ClNO2S/c1-19-9-7-12-13(8-10-19)17(16(21)15(20)14(12)18)22-11-5-3-2-4-6-11/h2-6,20-21H,7-10H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1/Adenylate cyclase type 2/Adenylate cyclase type 3/Adenylate cyclase type 4/Adenylate cyclase type 5/Adenylate cyclase type 6/Adenylate cyclase type 8/Adenylyl cyclase 7 (Rattus norvegicus-RAT)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair
Adenylate cyclase type 1 (Rattus norvegicus)	BDBM50222265 (CHEMBL541633) Show SMILES Br.Oc1cc2CCNCCc2c(Sc2ccccc2)c1O Show InChI InChI=1S/C16H17NO2S/c18-14-10-11-6-8-17-9-7-13(11)16(15(14)19)20-12-4-2-1-3-5-12/h1-5,10,17-19H,6-9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Dopamine sensitive adenylate cyclase in rats				J Med Chem 23: 975-6 (1980) BindingDB Entry DOI: 10.7270/Q2RV0QWD
					More data for this Ligand-Target Pair