BDBM50254592 CHEMBL450954::N,N-dibutyl-4-chloro-5-methyl-1-(4-(phenylmethylsulfonamido)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-1H-pyrazole-3-carboxamide

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=TXYIKRKYZPDTCU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50254592   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50254592 (CHEMBL450954 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C36H42ClN5O4S/c1-4-6-20-40(21-7-5-2)36(44)34-33(37)26(3)42(38-34)32-18-17-30(39-47(45,46)25-27-13-9-8-10-14-27)23-31(32)35(43)41-22-19-28-15-11-12-16-29(28)24-41/h8-18,23,39H,4-7,19-22,24-25H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50254592 (CHEMBL450954 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C36H42ClN5O4S/c1-4-6-20-40(21-7-5-2)36(44)34-33(37)26(3)42(38-34)32-18-17-30(39-47(45,46)25-27-13-9-8-10-14-27)23-31(32)35(43)41-22-19-28-15-11-12-16-29(28)24-41/h8-18,23,39H,4-7,19-22,24-25H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
UCB Celltech Curated by ChEMBL					Assay Description Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay				Bioorg Med Chem Lett 19: 230-3 (2008) Article DOI: 10.1016/j.bmcl.2008.10.113 BindingDB Entry DOI: 10.7270/Q29023MG
					More data for this Ligand-Target Pair