BDBM34268 MLS000082582::SMR000045040::cid_664182

SMILES: CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12

InChI Key: InChIKey=MYNPUNRLVWAFAP-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 34268   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM34268 (MLS000082582 | SMR000045040 | cid_664182) Show SMILES CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12 Show InChI InChI=1S/C22H22N4O2S2/c1-12(2)18-15-7-3-6-14(15)17-19-20(30-21(17)26-18)22(25-11-24-19)29-10-16(27)23-9-13-5-4-8-28-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM34268 (MLS000082582 | SMR000045040 | cid_664182) Show SMILES CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12 Show InChI InChI=1S/C22H22N4O2S2/c1-12(2)18-15-7-3-6-14(15)17-19-20(30-21(17)26-18)22(25-11-24-19)29-10-16(27)23-9-13-5-4-8-28-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.0119	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H41PVH
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM34268 (MLS000082582 | SMR000045040 | cid_664182) Show SMILES CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12 Show InChI InChI=1S/C22H22N4O2S2/c1-12(2)18-15-7-3-6-14(15)17-19-20(30-21(17)26-18)22(25-11-24-19)29-10-16(27)23-9-13-5-4-8-28-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,23,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	0.0547	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MW2FJG
					More data for this Ligand-Target Pair