BDBM50254591 CHEMBL504480::N,N-dibutyl-4-chloro-5-methyl-1-(4-(2-phenoxyacetamido)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-1H-pyrazole-3-carboxamide

SMILES: CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=JGHBSKWHWQNIKH-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 = 50254591   

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))	BDBM50254591 (CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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
Bcl2-antagonist of cell death (BAD) (Homo sapiens (Human))	BDBM50254591 (CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+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-xL (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))	BDBM50254591 (CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...) Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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