BindingDB PrimarySearch

Found 3891 hits with Last Name = 'pan' and Initial = 'p'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97445 (PT119) Show SMILES CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16297 (5-Hexyl-2-phenoxy-phenol \| 5-hexyl-2-phenoxylpheno...) Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP K_i Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
Syntex Discovery Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50519598 (CHEMBL4436406) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin)				J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16296 (5-Pentyl-2-phenoxy-phenol \| 5-pentyl-2-phenoxylphe...) Show SMILES CCCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol \| CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599948 (PHENAZEPAM) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97444 (PT443) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97443 (PT447) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36540 (5-bromo-2-phenoxylphenol \| PT103) Show SMILES Oc1cc(Br)ccc1Oc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599948 (PHENAZEPAM) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50519598 (CHEMBL4436406) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ROS1 (unknown origin)				J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36543 (5-propyl-2-phenoxyphenol \| PT02) Show SMILES CCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16294 (2PP \| 5-Ethyl-2-phenoxy-phenol \| 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	0.0900	-57.3	n/a	n/a	n/a	n/a	n/a	7.5	25
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent					Assay Description 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...				US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16294 (2PP \| 5-Ethyl-2-phenoxy-phenol \| 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	BDBM22925 ((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36539 (5-chloro-2-phenoxylphenol \| PT52 \| US10071965, Com...) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	0.100	-57.1	n/a	n/a	n/a	n/a	n/a	7.5	25
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent					Assay Description 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...				US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Homo sapiens (Human))	BDBM50367032 (COFORMYCIN) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97441 (PT89) Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM97440 (PT68) Show SMILES Oc1cc(CC=C)ccc1Oc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36539 (5-chloro-2-phenoxylphenol \| PT52 \| US10071965, Com...) Show SMILES Oc1cc(Cl)ccc1Oc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50373348 (CHEMBL264434 \| PT13) Show SMILES CCCCCCc1ccc(Oc2ccccc2N)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599948 (PHENAZEPAM) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Pro-FMRFamide-related neuropeptide FF (RAT)	BDBM86140 (CAS_123797 \| NPFF \| NSC_123797) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma, Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 305: 825-32 (2003) Article DOI: 10.1124/jpet.102.047118 BindingDB Entry DOI: 10.7270/Q2WS8RS2
Juvantia Pharma, Ltd. Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50062051 (1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-3-[4-(2-me...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599949 (CHEMBL3274851) Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 \|t:8\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50328671 ((6aR,9R,10aR)-3-(1-hexylcyclobutyl)-6,6-dimethyl-6...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114027 BindingDB Entry DOI: 10.7270/Q2J96BFX
TBA					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50062066 (3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-b...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16294 (2PP \| 5-Ethyl-2-phenoxy-phenol \| 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.5	25
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent					Assay Description 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...				US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM16294 (2PP \| 5-Ethyl-2-phenoxy-phenol \| 5-butyl-2-phenoxy...) Show SMILES CCc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.5	25
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent					Assay Description 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...				US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (RAT)	BDBM50056419 (4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 2: 1613-1618 (1992) Article DOI: 10.1016/S0960-894X(00)80441-2 BindingDB Entry DOI: 10.7270/Q2J67HFB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP K_i Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
Syntex Discovery Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599949 (CHEMBL3274851) Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 \|t:8\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599949 (CHEMBL3274851) Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 \|t:8\| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50133408 (CHEMBL3632844) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599949 (CHEMBL3274851) Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 \|t:8\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP K_i Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
Syntex Discovery Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP K_i Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
Syntex Discovery Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50133390 (CHEMBL3632826) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50286027 (6-(4-Fluoro-phenyl)-3-[[(Z)-hydroxyimino]-((R)-3-p...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for platelet activating factor receptor using [3H]-PAF in rabbit platelet membranes				Bioorg Med Chem Lett 5: 2913-2918 (1995) Article DOI: 10.1016/0960-894X(95)00511-Q BindingDB Entry DOI: 10.7270/Q2NC6157
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36542 (5-methyl-2-phenoxylphenol \| PT53 \| US10071965, Com...) Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stony Brook University					Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).				Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ
Stony Brook University					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50603275 (CHEMBL5187249) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114027 BindingDB Entry DOI: 10.7270/Q2J96BFX
TBA					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM36542 (5-methyl-2-phenoxylphenol \| PT53 \| US10071965, Com...) Show SMILES Cc1ccc(Oc2ccccc2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	0.380	-53.8	n/a	n/a	n/a	n/a	n/a	7.5	25
THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK US Patent					Assay Description 10 μM saFabI, 15 μM inhibitor, and 500 μM NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reac...				US Patent US10071965 (2018) BindingDB Entry DOI: 10.7270/Q2D79DFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by PDSP K_i Database									Br J Pharmacol 115: 622-8 (1995) Article DOI: 10.1111/j.1476-5381.1995.tb14977.x BindingDB Entry DOI: 10.7270/Q2BR8QP0
Syntex Discovery Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50599953 (CHEMBL1451229) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50048485 ((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50048485 ((S)-4-Methyl-2-{methyl-[4-(2-methyl-imidazo[4,5-c]...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet				J Med Chem 41: 74-95 (1998) Article DOI: 10.1021/jm970389+ BindingDB Entry DOI: 10.7270/Q2MC8Z4D
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50133394 (CHEMBL3632830) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50133400 (CHEMBL3632836) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
Sapienza Universit£ di Roma Curated by ChEMBL					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50603264 (CHEMBL5206676) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114027 BindingDB Entry DOI: 10.7270/Q2J96BFX
TBA					More data for this Ligand-Target Pair

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