Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'ansari' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay				Bioorg Med Chem Lett 21: 1871-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.081 BindingDB Entry DOI: 10.7270/Q2BR8SG4
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay				Bioorg Med Chem Lett 21: 1871-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.081 BindingDB Entry DOI: 10.7270/Q2BR8SG4
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 21: 1871-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.081 BindingDB Entry DOI: 10.7270/Q2BR8SG4
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM				Bioorg Med Chem Lett 21: 1871-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.081 BindingDB Entry DOI: 10.7270/Q2BR8SG4
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511123 (CHEMBL4522193) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511124 (CHEMBL4533559) Show SMILES COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1 Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)23-8-10-24(11-9-23)32-15-17-33(18-16-32)40(36,37)31-28-13-12-26(21-27(28)29(34)35)39-19-14-22-6-5-7-25(20-22)38-4/h5-13,20-21,31H,14-19H2,1-4H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511123 (CHEMBL4522193) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511125 (CHEMBL4462138) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C27H29NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1,3-4,7-8,11-16,19,21,28H,2,5-6,9-10,17-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511136 (CHEMBL4558313) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H23NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1-16,19,28H,17-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511138 (CHEMBL4576854) Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1 Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511124 (CHEMBL4533559) Show SMILES COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1 Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)23-8-10-24(11-9-23)32-15-17-33(18-16-32)40(36,37)31-28-13-12-26(21-27(28)29(34)35)39-19-14-22-6-5-7-25(20-22)38-4/h5-13,20-21,31H,14-19H2,1-4H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511138 (CHEMBL4576854) Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1 Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511136 (CHEMBL4558313) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C27H23NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1-16,19,28H,17-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511125 (CHEMBL4462138) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C27H29NO4S2/c29-27(30)25-19-23(33-18-17-20-7-3-1-4-8-20)13-16-26(25)28-34(31,32)24-14-11-22(12-15-24)21-9-5-2-6-10-21/h1,3-4,7-8,11-16,19,21,28H,2,5-6,9-10,17-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511143 (CHEMBL4463305) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C26H22N2O4S2/c29-26(30)23-17-21(33-16-15-19-7-3-1-4-8-19)11-13-25(23)28-34(31,32)22-12-14-24(27-18-22)20-9-5-2-6-10-20/h1-14,17-18,28H,15-16H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511135 (CHEMBL4457901) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H21NO4S2/c27-25(28)23-17-21(31-15-14-18-6-2-1-3-7-18)11-13-24(23)26-32(29,30)22-12-10-19-8-4-5-9-20(19)16-22/h1-13,16-17,26H,14-15H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511139 (CHEMBL4454113) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O5S2/c1-29(2,3)22-7-9-23(10-8-22)31-14-16-32(17-15-31)39(36,37)30-27-12-11-25(20-26(27)28(34)35)38-18-13-21-5-4-6-24(33)19-21/h4-12,19-20,30,33H,13-18H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511143 (CHEMBL4463305) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C26H22N2O4S2/c29-26(30)23-17-21(33-16-15-19-7-3-1-4-8-19)11-13-25(23)28-34(31,32)22-12-14-24(27-18-22)20-9-5-2-6-10-20/h1-14,17-18,28H,15-16H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511139 (CHEMBL4454113) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2cccc(O)c2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O5S2/c1-29(2,3)22-7-9-23(10-8-22)31-14-16-32(17-15-31)39(36,37)30-27-12-11-25(20-26(27)28(34)35)38-18-13-21-5-4-6-24(33)19-21/h4-12,19-20,30,33H,13-18H2,1-3H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor				Bioorg Med Chem Lett 21: 1871-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.081 BindingDB Entry DOI: 10.7270/Q2BR8SG4
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511122 (CHEMBL4452560) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C26H28N2O4S2/c29-26(30)24-19-23(33-18-15-20-7-3-1-4-8-20)11-12-25(24)27-34(31,32)28-16-13-22(14-17-28)21-9-5-2-6-10-21/h1-12,19,22,27H,13-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511122 (CHEMBL4452560) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C26H28N2O4S2/c29-26(30)24-19-23(33-18-15-20-7-3-1-4-8-20)11-12-25(24)27-34(31,32)28-16-13-22(14-17-28)21-9-5-2-6-10-21/h1-12,19,22,27H,13-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511135 (CHEMBL4457901) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H21NO4S2/c27-25(28)23-17-21(31-15-14-18-6-2-1-3-7-18)11-13-24(23)26-32(29,30)22-12-10-19-8-4-5-9-20(19)16-22/h1-13,16-17,26H,14-15H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511137 (CHEMBL4475729) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C25H27N3O4S2/c29-25(30)23-19-22(33-18-13-20-7-3-1-4-8-20)11-12-24(23)26-34(31,32)28-16-14-27(15-17-28)21-9-5-2-6-10-21/h1-12,19,26H,13-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511137 (CHEMBL4475729) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C25H27N3O4S2/c29-25(30)23-19-22(33-18-13-20-7-3-1-4-8-20)11-12-24(23)26-34(31,32)28-16-14-27(15-17-28)21-9-5-2-6-10-21/h1-12,19,26H,13-18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511144 (CHEMBL4440719) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H28FN3O4S2/c27-22-8-6-21(7-9-22)19-29-13-15-30(16-14-29)36(33,34)28-25-11-10-23(18-24(25)26(31)32)35-17-12-20-4-2-1-3-5-20/h1-11,18,28H,12-17,19H2,(H,31,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511134 (CHEMBL4435041) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H18BrNO4S2/c22-16-6-9-18(10-7-16)29(26,27)23-20-11-8-17(14-19(20)21(24)25)28-13-12-15-4-2-1-3-5-15/h1-11,14,23H,12-13H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511134 (CHEMBL4435041) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H18BrNO4S2/c22-16-6-9-18(10-7-16)29(26,27)23-20-11-8-17(14-19(20)21(24)25)28-13-12-15-4-2-1-3-5-15/h1-11,14,23H,12-13H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511146 (CHEMBL4473975) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29N3O4S2/c30-26(31)24-19-23(34-18-13-21-7-3-1-4-8-21)11-12-25(24)27-35(32,33)29-16-14-28(15-17-29)20-22-9-5-2-6-10-22/h1-12,19,27H,13-18,20H2,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511144 (CHEMBL4440719) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H28FN3O4S2/c27-22-8-6-21(7-9-22)19-29-13-15-30(16-14-29)36(33,34)28-25-11-10-23(18-24(25)26(31)32)35-17-12-20-4-2-1-3-5-20/h1-11,18,28H,12-17,19H2,(H,31,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511126 (CHEMBL4525910) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCC(=O)Nc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C30H36N4O5S2/c1-30(2,3)22-9-11-24(12-10-22)33-16-18-34(19-17-33)41(38,39)32-27-14-13-25(21-26(27)29(36)37)40-20-15-28(35)31-23-7-5-4-6-8-23/h4-14,21,32H,15-20H2,1-3H3,(H,31,35)(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511146 (CHEMBL4473975) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29N3O4S2/c30-26(31)24-19-23(34-18-13-21-7-3-1-4-8-21)11-12-25(24)27-35(32,33)29-16-14-28(15-17-29)20-22-9-5-2-6-10-22/h1-12,19,27H,13-18,20H2,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511126 (CHEMBL4525910) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCC(=O)Nc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C30H36N4O5S2/c1-30(2,3)22-9-11-24(12-10-22)33-16-18-34(19-17-33)41(38,39)32-27-14-13-25(21-26(27)29(36)37)40-20-15-28(35)31-23-7-5-4-6-8-23/h4-14,21,32H,15-20H2,1-3H3,(H,31,35)(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50511124 (CHEMBL4533559) Show SMILES COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(CC3)c3ccc(cc3)C(C)(C)C)c(c2)C(O)=O)c1 Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)23-8-10-24(11-9-23)32-15-17-33(18-16-32)40(36,37)31-28-13-12-26(21-27(28)29(34)35)39-19-14-22-6-5-7-25(20-22)38-4/h5-13,20-21,31H,14-19H2,1-4H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bcl-2 isoform 2 (1 to 34 residues and 92 to 202 residues with Bcl-xL sequence (35 to 50 residues) expresse...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50511123 (CHEMBL4522193) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bcl-2 isoform 2 (1 to 34 residues and 92 to 202 residues with Bcl-xL sequence (35 to 50 residues) expresse...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511128 (CHEMBL4448621) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H19NO4S2/c23-21(24)19-15-17(27-14-13-16-7-3-1-4-8-16)11-12-20(19)22-28(25,26)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511128 (CHEMBL4448621) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H19NO4S2/c23-21(24)19-15-17(27-14-13-16-7-3-1-4-8-16)11-12-20(19)22-28(25,26)18-9-5-2-6-10-18/h1-12,15,22H,13-14H2,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511145 (CHEMBL4577267) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C23H23NO4S2/c25-23(26)21-17-20(29-15-13-18-7-3-1-4-8-18)11-12-22(21)24-30(27,28)16-14-19-9-5-2-6-10-19/h1-12,17,24H,13-16H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511145 (CHEMBL4577267) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C23H23NO4S2/c25-23(26)21-17-20(29-15-13-18-7-3-1-4-8-18)11-12-22(21)24-30(27,28)16-14-19-9-5-2-6-10-19/h1-12,17,24H,13-16H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511142 (CHEMBL4463594) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C19H17NO4S3/c21-19(22)16-13-15(25-12-10-14-5-2-1-3-6-14)8-9-17(16)20-27(23,24)18-7-4-11-26-18/h1-9,11,13,20H,10,12H2,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511129 (CHEMBL4461974) Show SMILES OC(=O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H17NO4S2/c22-20(23)18-13-16(26-14-15-7-3-1-4-8-15)11-12-19(18)21-27(24,25)17-9-5-2-6-10-17/h1-13,21H,14H2,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511133 (CHEMBL4435893) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NC(=O)c1ccccc1 Show InChI InChI=1S/C22H19NO3S/c24-21(17-9-5-2-6-10-17)23-20-12-11-18(15-19(20)22(25)26)27-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,24)(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511129 (CHEMBL4461974) Show SMILES OC(=O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H17NO4S2/c22-20(23)18-13-16(26-14-15-7-3-1-4-8-15)11-12-19(18)21-27(24,25)17-9-5-2-6-10-17/h1-13,21H,14H2,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511142 (CHEMBL4463594) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C19H17NO4S3/c21-19(22)16-13-15(25-12-10-14-5-2-1-3-6-14)8-9-17(16)20-27(23,24)18-7-4-11-26-18/h1-9,11,13,20H,10,12H2,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511132 (CHEMBL4442233) Show SMILES Nc1ccc(SCCc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C15H15NO2S/c16-14-7-6-12(10-13(14)15(17)18)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,17,18)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50511123 (CHEMBL4522193) Show SMILES CC(C)(C)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)Nc1ccc(SCCc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C29H35N3O4S2/c1-29(2,3)23-9-11-24(12-10-23)31-16-18-32(19-17-31)38(35,36)30-27-14-13-25(21-26(27)28(33)34)37-20-15-22-7-5-4-6-8-22/h4-14,21,30H,15-20H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bcl-xL (with internal deletion of 45 to 85 amino acids and C-terminal truncation for 212 to 233 residues) ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511132 (CHEMBL4442233) Show SMILES Nc1ccc(SCCc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C15H15NO2S/c16-14-7-6-12(10-13(14)15(17)18)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2,(H,17,18)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511131 (CHEMBL4459843) Show SMILES OC(=O)c1cc(NCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20N2O4S/c24-21(25)19-15-17(22-14-13-16-7-3-1-4-8-16)11-12-20(19)23-28(26,27)18-9-5-2-6-10-18/h1-12,15,22-23H,13-14H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50511133 (CHEMBL4435893) Show SMILES OC(=O)c1cc(SCCc2ccccc2)ccc1NC(=O)c1ccccc1 Show InChI InChI=1S/C22H19NO3S/c24-21(17-9-5-2-6-10-17)23-20-12-11-18(15-19(20)22(25)26)27-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,24)(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50511131 (CHEMBL4459843) Show SMILES OC(=O)c1cc(NCCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H20N2O4S/c24-21(25)19-15-17(22-14-13-16-7-3-1-4-8-16)11-12-20(19)23-28(26,27)18-9-5-2-6-10-18/h1-12,15,22-23H,13-14H2,(H,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence ...				J Med Chem 63: 2489-2510 (2020) Article DOI: 10.1021/acs.jmedchem.9b01442 BindingDB Entry DOI: 10.7270/Q2542RW2
					More data for this Ligand-Target Pair

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