BDBM30881 5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide::5-tert-butyl-N-[1-(2-methylbenzyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide::5-tert-butyl-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide::5-tert-butyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide::MLS000087418::SMR000023641::cid_3243466

SMILES: Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1

InChI Key: InChIKey=QFJLNUKECLSERY-UHFFFAOYSA-N

Data: 7 IC50  1 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 8 hits for monomerid = 30881   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2FX77T8
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ
					More data for this Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM30881 (5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ
					More data for this Ligand-Target Pair