BDBM95301 MLS001099087::N-(4-cyanophenyl)-1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide::N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide::N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide::SMR000709298::cid_18273730

SMILES: Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C#N)c2c1C

InChI Key: InChIKey=FCFWUYYLNZABNB-UHFFFAOYSA-N

Data: 3 IC50

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 = 95301   

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
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM95301 (MLS001099087 | N-(4-cyanophenyl)-1-(5,6-dimethyl-4...) Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C#N)c2c1C Show InChI InChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM95301 (MLS001099087 | N-(4-cyanophenyl)-1-(5,6-dimethyl-4...) Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C#N)c2c1C Show InChI InChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM95301 (MLS001099087 | N-(4-cyanophenyl)-1-(5,6-dimethyl-4...) Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C#N)c2c1C Show InChI InChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0
					More data for this Ligand-Target Pair