Compile Data Set for Download or QSAR

Found 407 hits with Last Name = 'melnick' and Initial = 'm'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9665 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C41H54N2O5/c1-3-40(21-9-10-22-40)42(25-27-44)38(47)36-16-8-7-13-32(36)19-20-35(46)30-33-18-17-31(2)29-37(33)39(48)43(26-28-45)41(23-11-12-24-41)34-14-5-4-6-15-34/h4-8,13-18,29,35,44-46H,3,9-12,19-28,30H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	-53.7	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	-53.7	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3414 ((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-52.2	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3414 ((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	-51.6	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9674 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCc2cccnc2)cc1 Show InChI InChI=1S/C45H57N3O6/c1-5-45(22-8-9-23-45)48(26-28-50)42(52)40-13-7-6-12-35(40)16-19-38(51)30-36-15-14-33(2)29-41(36)43(53)47(25-27-49)44(3,4)37-17-20-39(21-18-37)54-32-34-11-10-24-46-31-34/h6-7,10-15,17-18,20-21,24,29,31,38,49-51H,5,8-9,16,19,22-23,25-28,30,32H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3425 (5-chloro-2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyet...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(Cl)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C38H49ClN2O5/c1-4-38(20-10-11-21-38)41(23-25-43)35(45)33-15-9-8-12-28(33)17-19-32(44)26-29-16-18-31(39)27-34(29)36(46)40(22-24-42)37(2,3)30-13-6-5-7-14-30/h5-9,12-16,18,27,32,42-44H,4,10-11,17,19-26H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3425 (5-chloro-2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyet...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(Cl)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C38H49ClN2O5/c1-4-38(20-10-11-21-38)41(23-25-43)35(45)33-15-9-8-12-28(33)17-19-32(44)26-29-16-18-31(39)27-34(29)36(46)40(22-24-42)37(2,3)30-13-6-5-7-14-30/h5-9,12-16,18,27,32,42-44H,4,10-11,17,19-26H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-51.6	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9669 (N-(1-Ethylcyclopentyl)-2-[4-[2-[(2,2-dimethyl[1,3]...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC1COC(C)(C)OC1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C44H60N2O6/c1-7-44(23-13-14-24-44)45(25-26-47)40(49)38-18-12-11-15-34(38)21-22-37(48)28-35-20-19-32(2)27-39(35)41(50)46(29-33-30-51-43(5,6)52-31-33)42(3,4)36-16-9-8-10-17-36/h8-12,15-20,27,33,37,47-48H,7,13-14,21-26,28-31H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3424 (2-[(2R)-4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 |r| Show InChI InChI=1S/C39H52N2O5/c1-5-39(21-11-12-22-39)41(24-26-43)36(45)34-16-10-9-13-30(34)19-20-33(44)28-31-18-17-29(2)27-35(31)37(46)40(23-25-42)38(3,4)32-14-7-6-8-15-32/h6-10,13-18,27,33,42-44H,5,11-12,19-26,28H2,1-4H3/t33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	-49.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9666 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1 Show InChI InChI=1S/C38H58N2O5/c1-6-20-37(7-2,8-3)39(23-25-41)36(45)34-27-29(5)16-17-31(34)28-32(43)19-18-30-14-10-11-15-33(30)35(44)40(24-26-42)38(9-4)21-12-13-22-38/h10-11,14-17,27,32,41-43H,6-9,12-13,18-26,28H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9673 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(O)cc1 Show InChI InChI=1S/C39H52N2O6/c1-5-39(20-8-9-21-39)41(23-25-43)36(46)34-11-7-6-10-29(34)14-17-33(45)27-30-13-12-28(2)26-35(30)37(47)40(22-24-42)38(3,4)31-15-18-32(44)19-16-31/h6-7,10-13,15-16,18-19,26,33,42-45H,5,8-9,14,17,20-25,27H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9664 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C39H52N2O5/c1-5-39(21-11-12-22-39)41(24-26-43)36(45)34-16-10-9-13-30(34)19-20-33(44)28-31-18-17-29(2)27-35(31)37(46)40(23-25-42)38(3,4)32-14-7-6-8-15-32/h6-10,13-18,27,33,42-44H,5,11-12,19-26,28H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9675 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C45H63N3O7/c1-5-45(20-8-9-21-45)48(23-28-50)42(52)40-11-7-6-10-35(40)14-17-38(51)33-36-13-12-34(2)32-41(36)43(53)47(22-27-49)44(3,4)37-15-18-39(19-16-37)55-31-26-46-24-29-54-30-25-46/h6-7,10-13,15-16,18-19,32,38,49-51H,5,8-9,14,17,20-31,33H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9670 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC(CO)CO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C41H56N2O6/c1-5-41(21-11-12-22-41)42(23-24-44)38(48)36-16-10-9-13-32(36)19-20-35(47)26-33-18-17-30(2)25-37(33)39(49)43(27-31(28-45)29-46)40(3,4)34-14-7-6-8-15-34/h6-10,13-18,25,31,35,44-47H,5,11-12,19-24,26-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9672 (1-[2-[N-(alpha,alpha-Dimethylbenzyl)-N-(3,4-dihydr...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCC(O)CO)C(C)(C)c1ccccc1 |w:36.39| Show InChI InChI=1S/C41H56N2O6/c1-5-41(22-11-12-23-41)43(25-26-44)38(48)36-16-10-9-13-31(36)19-20-34(46)28-32-18-17-30(2)27-37(32)39(49)42(24-21-35(47)29-45)40(3,4)33-14-7-6-8-15-33/h6-10,13-18,27,34-35,44-47H,5,11-12,19-26,28-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453058 (US10711036, Compound 116) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34BrFN6O4/c1-14(2)20(31-21(34)15-7-9-16(25)10-8-15)23(36)32-12-4-6-18(32)22(35)30-17(19(33)13-26)5-3-11-29-24(27)28/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453106 (US10711036, Compound 160) Show SMILES CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34F2N6O4/c1-14(2)20(31-21(34)15-7-9-16(26)10-8-15)23(36)32-12-4-6-18(32)22(35)30-17(19(33)13-25)5-3-11-29-24(27)28/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453091 (US10711036, Compound 146) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)c(c1)C#N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H33BrFN7O4/c1-14(2)21(33-22(36)15-7-8-17(26)16(11-15)13-28)24(38)34-10-4-6-19(34)23(37)32-18(20(35)12-27)5-3-9-31-25(29)30/h7-8,11,14,18-19,21H,3-6,9-10,12H2,1-2H3,(H,32,37)(H,33,36)(H4,29,30,31)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453094 (US10711036, Compound 148) Show SMILES CC(C)[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H34F4N6O5/c1-14(2)20(34-21(37)15-6-3-7-16(12-15)40-25(27,28)29)23(39)35-11-5-9-18(35)22(38)33-17(19(36)13-26)8-4-10-32-24(30)31/h3,6-7,12,14,17-18,20H,4-5,8-11,13H2,1-2H3,(H,33,38)(H,34,37)(H4,30,31,32)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9663 (2-(2-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...) Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C41H50N2O5/c1-30-20-21-32(37(28-30)39(48)43(25-27-45)41(4,5)34-17-10-7-11-18-34)29-35(46)23-22-31-14-12-13-19-36(31)38(47)42(24-26-44)40(2,3)33-15-8-6-9-16-33/h6-21,28,35,44-46H,22-27,29H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453124 (US10711036, Compound 174) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1COC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C23H32BrFN6O5/c1-13(2)19(30-20(33)14-5-7-15(24)8-6-14)22(35)31-12-36-11-17(31)21(34)29-16(18(32)10-25)4-3-9-28-23(26)27/h5-8,13,16-17,19H,3-4,9-12H2,1-2H3,(H,29,34)(H,30,33)(H4,26,27,28)/t16-,17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3423 (2-(3-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...) Show SMILES CC(C)(N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C40H48N2O5/c1-39(2,32-17-7-5-8-18-32)41(25-27-43)37(46)35-21-13-11-15-30(35)23-24-34(45)29-31-16-12-14-22-36(31)38(47)42(26-28-44)40(3,4)33-19-9-6-10-20-33/h5-22,34,43-45H,23-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-45.6	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3423 (2-(3-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...) Show SMILES CC(C)(N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C40H48N2O5/c1-39(2,32-17-7-5-8-18-32)41(25-27-43)37(46)35-21-13-11-15-30(35)23-24-34(45)29-31-16-12-14-22-36(31)38(47)42(26-28-44)40(3,4)33-19-9-6-10-20-33/h5-22,34,43-45H,23-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-45.5	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453119 (US10711036, Compound 169) Show SMILES CC(C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36ClFN6O5/c1-15(2)21(32-25(37)38-14-16-6-3-7-17(26)12-16)23(36)33-11-5-9-19(33)22(35)31-18(20(34)13-27)8-4-10-30-24(28)29/h3,6-7,12,15,18-19,21H,4-5,8-11,13-14H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453112 (US10711036, Compound 163) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C27H41FN6O4/c1-16(2)18-9-11-19(12-10-18)24(36)33-23(17(3)4)26(38)34-14-6-8-21(34)25(37)32-20(22(35)15-28)7-5-13-31-27(29)30/h9-12,16-17,20-21,23H,5-8,13-15H2,1-4H3,(H,32,37)(H,33,36)(H4,29,30,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453116 (US10711036, Compound 167) Show SMILES CC(C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H35ClFN7O4/c1-14(2)20(32-24(37)31-16-8-4-3-7-15(16)25)22(36)33-12-6-10-18(33)21(35)30-17(19(34)13-26)9-5-11-29-23(27)28/h3-4,7-8,14,17-18,20H,5-6,9-13H2,1-2H3,(H,30,35)(H4,27,28,29)(H2,31,32,37)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453093 (US10711036, Compound 147) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Cl)c(c1)C#N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H33ClFN7O4/c1-14(2)21(33-22(36)15-7-8-17(26)16(11-15)13-28)24(38)34-10-4-6-19(34)23(37)32-18(20(35)12-27)5-3-9-31-25(29)30/h7-8,11,14,18-19,21H,3-6,9-10,12H2,1-2H3,(H,32,37)(H,33,36)(H4,29,30,31)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453120 (US10711036, Compound 170) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1Cl)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36ClFN6O5/c1-15(2)21(32-25(37)38-14-16-7-3-4-8-17(16)26)23(36)33-12-6-10-19(33)22(35)31-18(20(34)13-27)9-5-11-30-24(28)29/h3-4,7-8,15,18-19,21H,5-6,9-14H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453089 (US10711036, Compound 145) Show SMILES CC(C)[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H34F4N6O5/c1-14(2)20(34-21(37)15-7-9-16(10-8-15)40-25(27,28)29)23(39)35-12-4-6-18(35)22(38)33-17(19(36)13-26)5-3-11-32-24(30)31/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,33,38)(H,34,37)(H4,30,31,32)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453114 (US10711036, Compound 165) Show SMILES CC(C)[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H35ClFN7O4/c1-14(2)20(32-24(37)30-16-7-3-6-15(25)12-16)22(36)33-11-5-9-18(33)21(35)31-17(19(34)13-26)8-4-10-29-23(27)28/h3,6-7,12,14,17-18,20H,4-5,8-11,13H2,1-2H3,(H,31,35)(H4,27,28,29)(H2,30,32,37)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453127 (US10711036, Compound 177) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF)C#N |r| Show InChI InChI=1S/C25H33BrFN7O4/c1-14(2)21(33-22(36)16-5-7-17(26)8-6-16)24(38)34-13-15(12-28)10-19(34)23(37)32-18(20(35)11-27)4-3-9-31-25(29)30/h5-8,14-15,18-19,21H,3-4,9-11,13H2,1-2H3,(H,32,37)(H,33,36)(H4,29,30,31)/t15-,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453130 (US10711036, Compound 180) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-3-17(2)22(32-26(37)38-16-18-9-5-4-6-10-18)24(36)33-14-8-12-20(33)23(35)31-19(21(34)15-27)11-7-13-30-25(28)29/h4-6,9-10,17,19-20,22H,3,7-8,11-16H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t17?,19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453083 (US10711036, Compound 137) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C30H39FN6O4/c1-19(2)26(36-27(39)22-14-12-21(13-15-22)20-8-4-3-5-9-20)29(41)37-17-7-11-24(37)28(40)35-23(25(38)18-31)10-6-16-34-30(32)33/h3-5,8-9,12-15,19,23-24,26H,6-7,10-11,16-18H2,1-2H3,(H,35,40)(H,36,39)(H4,32,33,34)/t23-,24-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453118 (US10711036, Compound 168) Show SMILES CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36ClFN6O5/c1-15(2)21(32-25(37)38-14-16-7-9-17(26)10-8-16)23(36)33-12-4-6-19(33)22(35)31-18(20(34)13-27)5-3-11-30-24(28)29/h7-10,15,18-19,21H,3-6,11-14H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453122 (US10711036, Compound 172) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C27H38BrFN6O5/c28-18-10-8-17(9-11-18)24(38)34-23(16-5-2-1-3-6-16)26(40)35-15-19(36)13-21(35)25(39)33-20(22(37)14-29)7-4-12-32-27(30)31/h8-11,16,19-21,23,36H,1-7,12-15H2,(H,33,39)(H,34,38)(H4,30,31,32)/t19-,20+,21+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9667 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)C1CCOCC1 Show InChI InChI=1S/C38H56N2O6/c1-5-38(18-8-9-19-38)40(21-23-42)35(44)33-11-7-6-10-29(33)14-15-32(43)27-30-13-12-28(2)26-34(30)36(45)39(20-22-41)37(3,4)31-16-24-46-25-17-31/h6-7,10-13,26,31-32,41-43H,5,8-9,14-25,27H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453099 (US10711036, Compound 154) Show SMILES CC(C)[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H37FN6O4/c1-17(2)23(32-22(35)13-12-18-8-4-3-5-9-18)25(37)33-15-7-11-20(33)24(36)31-19(21(34)16-27)10-6-14-30-26(28)29/h3-5,8-9,12-13,17,19-20,23H,6-7,10-11,14-16H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/b13-12+/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453050 (US10711036, Compound 108) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C29H43FN6O5/c30-18-24(37)22(14-9-16-33-28(31)32)34-26(38)23-15-7-8-17-36(23)27(39)25(21-12-5-2-6-13-21)35-29(40)41-19-20-10-3-1-4-11-20/h1,3-4,10-11,21-23,25H,2,5-9,12-19H2,(H,34,38)(H,35,40)(H4,31,32,33)/t22-,23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453128 (US10711036, Compound 178) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C22H32BrFN6O4/c1-12(2)18(30-20(33)14-6-8-15(23)9-7-14)21(34)28-13(3)19(32)29-16(17(31)11-24)5-4-10-27-22(25)26/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)(H4,25,26,27)/t13-,16-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453080 (US10711036, Compound 134) Show SMILES CC(C)[C@H](NC(=O)c1cccc(c1)C#N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H34FN7O4/c1-15(2)21(32-22(35)17-7-3-6-16(12-17)14-27)24(37)33-11-5-9-19(33)23(36)31-18(20(34)13-26)8-4-10-30-25(28)29/h3,6-7,12,15,18-19,21H,4-5,8-11,13H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453133 (US10711036, Compound 183) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36BrFN6O4/c1-14(2)21(32-22(35)17-9-8-16(26)12-15(17)3)24(37)33-11-5-7-19(33)23(36)31-18(20(34)13-27)6-4-10-30-25(28)29/h8-9,12,14,18-19,21H,4-7,10-11,13H2,1-3H3,(H,31,36)(H,32,35)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50510284 (CHEMBL4461333 | US10711036, Compound 101) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453055 (US10711036, Compound 113) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H35FN6O4/c1-15(2)20(30-21(33)16-8-4-3-5-9-16)23(35)31-13-7-11-18(31)22(34)29-17(19(32)14-25)10-6-12-28-24(26)27/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3,(H,29,34)(H,30,33)(H4,26,27,28)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453102 (US10711036, Compound 156) Show SMILES CC(C)[C@H](NC(=O)c1cnc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C27H36FN7O4/c1-16(2)23(34-24(37)18-13-17-7-3-4-8-19(17)32-15-18)26(39)35-12-6-10-21(35)25(38)33-20(22(36)14-28)9-5-11-31-27(29)30/h3-4,7-8,13,15-16,20-21,23H,5-6,9-12,14H2,1-2H3,(H,33,38)(H,34,37)(H4,29,30,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453049 (US10711036, Compound 107) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-17(2)22(32-26(37)38-16-18-9-4-3-5-10-18)24(36)33-14-7-6-12-20(33)23(35)31-19(21(34)15-27)11-8-13-30-25(28)29/h3-5,9-10,17,19-20,22H,6-8,11-16H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453057 (US10711036, Compound 115) Show SMILES CC(C)[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34BrFN6O4/c1-14(2)20(31-21(34)15-6-3-7-16(25)12-15)23(36)32-11-5-9-18(32)22(35)30-17(19(33)13-26)8-4-10-29-24(27)28/h3,6-7,12,14,17-18,20H,4-5,8-11,13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453059 (US10711036, Compound 117) Show SMILES CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O4/c1-16(2)22(31-21(34)14-17-8-4-3-5-9-17)24(36)32-13-7-11-19(32)23(35)30-18(20(33)15-26)10-6-12-29-25(27)28/h3-5,8-9,16,18-19,22H,6-7,10-15H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t18-,19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453061 (US10711036, Compound 119) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O4/c1-17(2)23(32-22(35)13-12-18-8-4-3-5-9-18)25(37)33-15-7-11-20(33)24(36)31-19(21(34)16-27)10-6-14-30-26(28)29/h3-5,8-9,17,19-20,23H,6-7,10-16H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453044 (US10711036, Compound 103) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-26(2,3)21(32-25(37)38-16-17-9-5-4-6-10-17)23(36)33-14-8-12-19(33)22(35)31-18(20(34)15-27)11-7-13-30-24(28)29/h4-6,9-10,18-19,21H,7-8,11-16H2,1-3H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair

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