Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 9549   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158355 (CHEMBL3781822 | US10858316, Compound 3bl) Show SMILES Cc1cc(Oc2ccc(cc2)N(Cc2ccccc2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl Show InChI InChI=1S/C32H26ClNO6S/c1-20-16-25(17-21(2)30(20)33)40-24-14-12-23(13-15-24)34(19-22-8-4-3-5-9-22)41(38,39)29-18-28(32(36)37)31(35)27-11-7-6-10-26(27)29/h3-18,35H,19H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473829 (US10858316, Compound 3bk) Show SMILES Cc1cc(Oc2ccc(cc2)N(C2C=CC=C2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl |c:14,16| Show InChI InChI=1S/C30H24ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h3-17,20,33H,1-2H3,(H,34,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158326 (CHEMBL3781669 | US10858316, Compound 3bg) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158353 (CHEMBL3780803 | US10858316, Compound 3bj) Show SMILES CC(C)CN(c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C29H28ClNO6S/c1-17(2)16-31(20-9-11-21(12-10-20)37-22-13-18(3)27(30)19(4)14-22)38(35,36)26-15-25(29(33)34)28(32)24-8-6-5-7-23(24)26/h5-15,17,32H,16H2,1-4H3,(H,33,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158322 (CHEMBL3780225 | US10858316, Compound 3bd) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158324 (CHEMBL3780311 | US10858316, Compound 3be) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1 Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158333 (CHEMBL3780473 | US10858316, Compound 3bi) Show SMILES Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc(C)c1Cl Show InChI InChI=1S/C25H20ClNO6S/c1-14-11-18(12-15(2)23(14)26)33-17-9-7-16(8-10-17)27-34(31,32)22-13-21(25(29)30)24(28)20-6-4-3-5-19(20)22/h3-13,27-28H,1-2H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158353 (CHEMBL3780803 | US10858316, Compound 3bj) Show SMILES CC(C)CN(c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C29H28ClNO6S/c1-17(2)16-31(20-9-11-21(12-10-20)37-22-13-18(3)27(30)19(4)14-22)38(35,36)26-15-25(29(33)34)28(32)24-8-6-5-7-23(24)26/h5-15,17,32H,16H2,1-4H3,(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158332 (CHEMBL3780719 | US10858316, Compound 3bh) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H16ClNO6S/c24-14-5-9-16(10-6-14)31-17-11-7-15(8-12-17)25-32(29,30)21-13-20(23(27)28)22(26)19-4-2-1-3-18(19)21/h1-13,25-26H,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158326 (CHEMBL3781669 | US10858316, Compound 3bg) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C23H15Cl2NO6S/c24-13-5-10-20(19(25)11-13)32-15-8-6-14(7-9-15)26-33(30,31)21-12-18(23(28)29)22(27)17-4-2-1-3-16(17)21/h1-12,26-27H,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158322 (CHEMBL3780225 | US10858316, Compound 3bd) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H19NO6S/c29-26-22-10-4-3-9-21(22)25(16-23(26)27(30)31)35(32,33)28-18-12-14-19(15-13-18)34-24-11-5-7-17-6-1-2-8-20(17)24/h1-16,28-29H,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158325 (CHEMBL3781894 | US10858316, Compound 3bf) Show SMILES Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)c1 Show InChI InChI=1S/C25H21NO6S/c1-15-11-16(2)13-19(12-15)32-18-9-7-17(8-10-18)26-33(30,31)23-14-22(25(28)29)24(27)21-6-4-3-5-20(21)23/h3-14,26-27H,1-2H3,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50303503 (CHEMBL4160782 | US10858316, Compound SF-5-141) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CC(Cc3ccccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C24H22ClNO5S/c1-15-11-20(12-16(2)23(15)25)31-19-7-9-21(10-8-19)32(29,30)26-14-18(24(27)28)13-17-5-3-4-6-22(17)26/h3-12,18H,13-14H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473829 (US10858316, Compound 3bk) Show SMILES Cc1cc(Oc2ccc(cc2)N(C2C=CC=C2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl |c:14,16| Show InChI InChI=1S/C30H24ClNO6S/c1-18-15-23(16-19(2)28(18)31)38-22-13-11-21(12-14-22)32(20-7-3-4-8-20)39(36,37)27-17-26(30(34)35)29(33)25-10-6-5-9-24(25)27/h3-17,20,33H,1-2H3,(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158324 (CHEMBL3780311 | US10858316, Compound 3be) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)cc1 Show InChI InChI=1S/C23H16BrNO6S/c24-14-4-3-5-17(12-14)31-16-10-8-15(9-11-16)25-32(29,30)21-13-20(23(27)28)22(26)19-7-2-1-6-18(19)21/h1-13,25-26H,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473844 (1-((4-(4-chloro-3,5- dimethylphenoxy) phenyl) sulf...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCCc3cc(ccc23)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C24H22ClNO5S/c1-15-12-20(13-16(2)23(15)25)31-19-6-8-21(9-7-19)32(29,30)26-11-3-4-17-14-18(24(27)28)5-10-22(17)26/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158186 (CHEMBL3781396 | US10858316, Compound 3bc) Show SMILES Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc1 Show InChI InChI=1S/C24H19NO6S/c1-15-6-10-17(11-7-15)31-18-12-8-16(9-13-18)25-32(29,30)22-14-21(24(27)28)23(26)20-5-3-2-4-19(20)22/h2-14,25-26H,1H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	335	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158355 (CHEMBL3781822 | US10858316, Compound 3bl) Show SMILES Cc1cc(Oc2ccc(cc2)N(Cc2ccccc2)S(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc(C)c1Cl Show InChI InChI=1S/C32H26ClNO6S/c1-20-16-25(17-21(2)30(20)33)40-24-14-12-23(13-15-24)34(19-22-8-4-3-5-9-22)41(38,39)29-18-28(32(36)37)31(35)27-11-7-6-10-26(27)29/h3-18,35H,19H2,1-2H3,(H,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158325 (CHEMBL3781894 | US10858316, Compound 3bf) Show SMILES Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)c1 Show InChI InChI=1S/C25H21NO6S/c1-15-11-16(2)13-19(12-15)32-18-9-7-17(8-10-18)26-33(30,31)23-14-22(25(28)29)24(27)21-6-4-3-5-20(21)23/h3-14,26-27H,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158168 (CHEMBL3780113 | US10858316, Compound 3o) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1Br Show InChI InChI=1S/C17H11Br2NO5S/c18-9-5-6-14(13(19)7-9)20-26(24,25)15-8-12(17(22)23)16(21)11-4-2-1-3-10(11)15/h1-8,20-21H,(H,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158333 (CHEMBL3780473 | US10858316, Compound 3bi) Show SMILES Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc(C)c1Cl Show InChI InChI=1S/C25H20ClNO6S/c1-14-11-18(12-15(2)23(14)26)33-17-9-7-16(8-10-17)27-34(31,32)22-13-21(25(29)30)24(28)20-6-4-3-5-19(20)22/h3-13,27-28H,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158184 (CHEMBL3780576 | US10858316, Compound 3ba) Show SMILES CC(C)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C24H27NO6S/c1-15(2)14-25(17-9-11-18(12-10-17)31-16(3)4)32(29,30)22-13-21(24(27)28)23(26)20-8-6-5-7-19(20)22/h5-13,15-16,26H,14H2,1-4H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	487	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158356 (CHEMBL3781019 | US10858316, Compound 3ca) Show SMILES CC(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C21H20BrNO5S/c1-13(2)12-23(15-9-7-14(22)8-10-15)29(27,28)19-11-18(21(25)26)20(24)17-6-4-3-5-16(17)19/h3-11,13,24H,12H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	566	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473880 (5-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...) Show SMILES CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-23(28)22(13-18)25(29)30)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	586	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473880 (5-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...) Show SMILES CC(C)CN(c1ccc(O)c(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-23(28)22(13-18)25(29)30)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	586	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473862 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473862 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	778	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158186 (CHEMBL3781396 | US10858316, Compound 3bc) Show SMILES Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(O)=O)c(O)c4ccccc34)cc2)cc1 Show InChI InChI=1S/C24H19NO6S/c1-15-6-10-17(11-7-15)31-18-12-8-16(9-13-18)25-32(29,30)22-14-21(24(27)28)23(26)20-5-3-2-4-19(20)22/h2-14,25-26H,1H3,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158185 (CHEMBL3781946 | US10858316, Compound 3bb) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H17NO6S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)31(28,29)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-14,24-25H,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473894 (5-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(O)c(c2)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-26(31)25(16-21)28(32)33/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473893 (US10858316, Compound LC-5-188 | US10858316, Compou...) Show SMILES Cc1cc(CCCN(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C25H26ClNO3/c1-17-13-20(14-18(2)24(17)26)9-6-12-27(16-19-7-4-3-5-8-19)21-10-11-22(25(29)30)23(28)15-21/h3-5,7-8,10-11,13-15,28H,6,9,12,16H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473876 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...) Show SMILES CC(C)CN(c1cccc(c1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO5S/c1-16(2)15-27(20-7-5-6-19(14-20)25(28)29)33(30,31)23-10-8-21(9-11-23)32-22-12-17(3)24(26)18(4)13-22/h5-14,16H,15H2,1-4H3,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158173 (CHEMBL3780617 | US10858316, Compound 3t) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H17NO5S/c25-22-19-9-5-4-8-18(19)21(14-20(22)23(26)27)30(28,29)24-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14,24-25H,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473862 (3-(4-(4-chloro-3,5- dimethylphenoxy)- N- isobutylp...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO6S/c1-15(2)14-27(18-5-10-22(25(29)30)23(28)13-18)34(31,32)21-8-6-19(7-9-21)33-20-11-16(3)24(26)17(4)12-20/h5-13,15,28H,14H2,1-4H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473868 (4-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(C(O)=O)c(O)c2)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-25(28(32)33)26(31)16-21/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473867 (4-(N-benzyl-[1,1'- biphenyl]-4- ylsulfonamido)-2- ...) Show SMILES OC(=O)c1ccc(cc1O)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H21NO5S/c28-25-17-22(13-16-24(25)26(29)30)27(18-19-7-3-1-4-8-19)33(31,32)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-17,28H,18H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473863 (4-(N- cyclopentyl- naphthalene- 2-sulfonamido)-2- ...) Show SMILES OC(=O)c1ccc(cc1O)N(C1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21NO5S/c24-21-14-18(10-12-20(21)22(25)26)23(17-7-3-4-8-17)29(27,28)19-11-9-15-5-1-2-6-16(15)13-19/h1-2,5-6,9-14,17,24H,3-4,7-8H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473863 (4-(N- cyclopentyl- naphthalene- 2-sulfonamido)-2- ...) Show SMILES OC(=O)c1ccc(cc1O)N(C1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21NO5S/c24-21-14-18(10-12-20(21)22(25)26)23(17-7-3-4-8-17)29(27,28)19-11-9-15-5-1-2-6-16(15)13-19/h1-2,5-6,9-14,17,24H,3-4,7-8H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473894 (5-(N-benzyl-4-(4- chloro-3,5- dimethylphenoxy) phe...) Show SMILES Cc1cc(Oc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)c2ccc(O)c(c2)C(O)=O)cc(C)c1Cl Show InChI InChI=1S/C28H24ClNO6S/c1-18-14-23(15-19(2)27(18)29)36-22-9-11-24(12-10-22)37(34,35)30(17-20-6-4-3-5-7-20)21-8-13-26(31)25(16-21)28(32)33/h3-16,31H,17H2,1-2H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158172 (CHEMBL3780990 | US10858316, Compound 3s) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C23H17NO5S/c25-22-19-12-5-4-11-18(19)21(14-20(22)23(26)27)30(28,29)24-17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-14,24-25H,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473892 (4-(N-benzyl-4- phenoxyphenyl- sulfonamido)- 2-hydr...) Show SMILES Oc1cc(ccc1C(=O)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C32H26N2O7S2/c35-31-22-25(16-21-30(31)32(36)33-42(37,38)28-14-8-3-9-15-28)34(23-24-10-4-1-5-11-24)43(39,40)29-19-17-27(18-20-29)41-26-12-6-2-7-13-26/h1-22,35H,23H2,(H,33,36)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50158175 (CHEMBL3780290 | US10858316, Compound 3v) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClNO5S/c18-10-5-7-11(8-6-10)19-25(23,24)15-9-14(17(21)22)16(20)13-4-2-1-3-12(13)15/h1-9,19-20H,(H,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM473863 (4-(N- cyclopentyl- naphthalene- 2-sulfonamido)-2- ...) Show SMILES OC(=O)c1ccc(cc1O)N(C1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21NO5S/c24-21-14-18(10-12-20(21)22(25)26)23(17-7-3-4-8-17)29(27,28)19-11-9-15-5-1-2-6-16(15)13-19/h1-2,5-6,9-14,17,24H,3-4,7-8H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473849 (4-(4-(4-chloro-3,5- dimethylphenoxy)- N-isobutylph...) Show SMILES CC(C)CN(c1ccc(cc1)C(O)=O)S(=O)(=O)c1ccc(Oc2cc(C)c(Cl)c(C)c2)cc1 Show InChI InChI=1S/C25H26ClNO5S/c1-16(2)15-27(20-7-5-19(6-8-20)25(28)29)33(30,31)23-11-9-21(10-12-23)32-22-13-17(3)24(26)18(4)14-22/h5-14,16H,15H2,1-4H3,(H,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM473859 (2-hydroxy-4-(N- isobutyl-4-(p- tolyloxy)phenyl- su...) Show SMILES CC(C)CN(c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1 Show InChI InChI=1S/C24H25NO6S/c1-16(2)15-25(18-6-13-22(24(27)28)23(26)14-18)32(29,30)21-11-9-20(10-12-21)31-19-7-4-17(3)5-8-19/h4-14,16,26H,15H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50158168 (CHEMBL3780113 | US10858316, Compound 3o) Show SMILES OC(=O)c1cc(c2ccccc2c1O)S(=O)(=O)Nc1ccc(Br)cc1Br Show InChI InChI=1S/C17H11Br2NO5S/c18-9-5-6-14(13(19)7-9)20-26(24,25)15-8-12(17(22)23)16(21)11-4-2-1-3-10(11)15/h1-8,20-21H,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed mo...				US Patent US10858316 (2020) BindingDB Entry DOI: 10.7270/Q20R9SHV
					More data for this Ligand-Target Pair

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