Compile Data Set for Download or QSAR

Found 526 hits with Last Name = 'cusack' and Initial = 'kp'   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620450 ((S)-5-((1-(difluoromethyl)-5-methyl-1H-pyrazol-4-y...) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C(F)F)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620443 (US11767310, Example 11) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620438 (US11767310, Example 6) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C1CCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620434 (US11767310, Example 2) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620440 (US11767310, Example 8) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn2CCOCc12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620439 (US11767310, Example 7) Show SMILES CN(C[C@@H](O)[C@@H](F)c1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620446 (US11767310, Example 14) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cnc(C)c(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323351 (6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-isobutyl-6,7-d...) Show SMILES CC(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| Show InChI InChI=1S/C17H22ClN3O2S/c1-12(2)8-17-20-11-19-9-16(20)10-21(24(17,22)23)13(3)14-4-6-15(18)7-5-14/h4-7,9,11-13,17H,8,10H2,1-3H3/t13-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human CYP11B2				Bioorg Med Chem Lett 23: 5471-83 (2013) Article DOI: 10.1016/j.bmcl.2013.08.003 BindingDB Entry DOI: 10.7270/Q2R49S6F
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620433 (US11767310, Example 1) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50323353 (1-{6-[(S)-1-(4-Chloro-phenyl)-ethyl]-5,5-dioxo-4,5...) Show SMILES C[C@H](N1Cc2cncn2C(CC(C)(C)O)S1(=O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H22ClN3O3S/c1-12(13-4-6-14(18)7-5-13)21-10-15-9-19-11-20(15)16(25(21,23)24)8-17(2,3)22/h4-7,9,11-12,16,22H,8,10H2,1-3H3/t12-,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of human CYP11B2				Bioorg Med Chem Lett 23: 5471-83 (2013) Article DOI: 10.1016/j.bmcl.2013.08.003 BindingDB Entry DOI: 10.7270/Q2R49S6F
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620444 (US11767310, Example 12) Show SMILES CN(C[C@@H](O)Cc1cccc(F)c1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620437 (US11767310, Example 5) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620441 (US11767310, Example 9) Show SMILES CN(C[C@H](O)Cc1ccccc1)C(=O)c1cnc(C(F)F)c(c1)C#Cc1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155144 (4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...) Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1 |c:3| Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620436 (US11767310, Example 4) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620449 (US11767310, Example 17) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnc(C)o1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620435 (US11767310, Example 3) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
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Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620442 (US11767310, Example 10) Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(n1)C1COC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
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Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155149 (4-(3-Methyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...) Show SMILES Cc1c(\C=C2/C(=O)NN=C2c2cnccn2)[nH]c2ccccc12 |c:8| Show InChI InChI=1S/C17H13N5O/c1-10-11-4-2-3-5-13(11)20-14(10)8-12-16(21-22-17(12)23)15-9-18-6-7-19-15/h2-9,20H,1H3,(H,22,23)/b12-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
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Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155148 ((Z)-4-((4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-...) Show SMILES CCN(CC)CCc1c(C)[nH]c(\C=C2/C(=O)NN=C2c2cnccn2)c1C |c:17| Show InChI InChI=1S/C20H26N6O/c1-5-26(6-2)10-7-15-13(3)17(23-14(15)4)11-16-19(24-25-20(16)27)18-12-21-8-9-22-18/h8-9,11-12,23H,5-7,10H2,1-4H3,(H,25,27)/b16-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM620445 (US11767310, Example 13) Show SMILES COc1ncc(cc1C#Cc1cnn(C)c1)C(=O)N(C)C[C@@H](O)Cc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292711 (US10106501, Example A) Show SMILES COCCN1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl Show InChI InChI=1S/C26H28Cl2F3N3O2/c1-16-12-17(26(29,30)31)13-23-20(16)14-18(32(23)2)15-21-22(27)5-4-19(24(21)28)25(35)34-8-6-33(7-9-34)10-11-36-3/h4-5,12-14H,6-11,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
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Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292717 (US10106501, Example A1) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCN(CC4)C4COC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C26H26Cl2F3N3O2/c1-15-9-16(26(29,30)31)10-23-20(15)11-17(32(23)2)12-21-22(27)4-3-19(24(21)28)25(35)34-7-5-33(6-8-34)18-13-36-14-18/h3-4,9-11,18H,5-8,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
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Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292718 (US10106501, Example A1-11) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)S(C)(=O)=O)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C25H25Cl2F3N2O3S/c1-14-10-15(25(28,29)30)11-22-19(14)12-16(31(22)2)13-20-21(26)5-4-18(23(20)27)24(33)32-8-6-17(7-9-32)36(3,34)35/h4-5,10-12,17H,6-9,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292719 (US10106501, Example AP-6) Show SMILES Cc1cc(cc2n(C)c(cc12)C(=O)c1c(Cl)ccc(C(=O)N2CCC(CC2)C2COC2)c1Cl)C(F)(F)F Show InChI InChI=1S/C27H25Cl2F3N2O3/c1-14-9-17(27(30,31)32)10-21-19(14)11-22(33(21)2)25(35)23-20(28)4-3-18(24(23)29)26(36)34-7-5-15(6-8-34)16-12-37-13-16/h3-4,9-11,15-16H,5-8,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292720 (US10106501, Example AQ-3 | US10106501, Example AQ-...) Show SMILES C[C@@H]1CN(CC[C@@H]1C(O)=O)C(=O)c1ccc(Cl)c(C(=O)c2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl |r| Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-12-8-14(26(29,30)31)9-19-17(12)10-20(32(19)3)23(34)21-18(27)5-4-16(22(21)28)24(35)33-7-6-15(25(36)37)13(2)11-33/h4-5,8-10,13,15H,6-7,11H2,1-3H3,(H,36,37)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292720 (US10106501, Example AQ-3 | US10106501, Example AQ-...) Show SMILES C[C@@H]1CN(CC[C@@H]1C(O)=O)C(=O)c1ccc(Cl)c(C(=O)c2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl |r| Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-12-8-14(26(29,30)31)9-19-17(12)10-20(32(19)3)23(34)21-18(27)5-4-16(22(21)28)24(35)33-7-6-15(25(36)37)13(2)11-33/h4-5,8-10,13,15H,6-7,11H2,1-3H3,(H,36,37)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292722 (US10106501, Example AQ-5) Show SMILES C[C@H]1CN(CC[C@H]1C(O)=O)C(=O)c1ccc(Cl)c(C(=O)c2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl |r| Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-12-8-14(26(29,30)31)9-19-17(12)10-20(32(19)3)23(34)21-18(27)5-4-16(22(21)28)24(35)33-7-6-15(25(36)37)13(2)11-33/h4-5,8-10,13,15H,6-7,11H2,1-3H3,(H,36,37)/t13-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292723 (US10106501, Example B) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(O)=O)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C25H23Cl2F3N2O3/c1-13-9-15(25(28,29)30)10-21-18(13)11-16(31(21)2)12-19-20(26)4-3-17(22(19)27)23(33)32-7-5-14(6-8-32)24(34)35/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292724 (US10106501, Example B-1) Show SMILES CC1CN(CCC1C(O)=O)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-13-8-15(26(29,30)31)9-22-19(13)10-16(32(22)3)11-20-21(27)5-4-18(23(20)28)24(34)33-7-6-17(25(35)36)14(2)12-33/h4-5,8-10,14,17H,6-7,11-12H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292725 (US10106501, Example B-2) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)OCC(O)=O)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C26H25Cl2F3N2O4/c1-14-9-15(26(29,30)31)10-22-19(14)11-16(32(22)2)12-20-21(27)4-3-18(24(20)28)25(36)33-7-5-17(6-8-33)37-13-23(34)35/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50155151 (4-((1-methyl-1H-indol-3-yl)methylene)-3-(pyrazin-2...) Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnccn2)c2ccccc12 |c:9| Show InChI InChI=1S/C17H13N5O/c1-22-10-11(12-4-2-3-5-15(12)22)8-13-16(20-21-17(13)23)14-9-18-6-7-19-14/h2-10H,1H3,(H,21,23)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)				Bioorg Med Chem Lett 14: 5503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.007 BindingDB Entry DOI: 10.7270/Q2NK3DJN
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292729 (US10106501, Example B-6) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)C4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C25H23Cl2F3N2O3/c1-13-7-15(25(28,29)30)9-21-18(13)10-16(31(21)2)11-19-20(26)4-3-17(23(19)27)24(35)32-6-5-14(12-32)8-22(33)34/h3-4,7,9-10,14H,5-6,8,11-12H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292730 (US10106501, Example B-7) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-14-9-16(26(29,30)31)11-22-19(14)12-17(32(22)2)13-20-21(27)4-3-18(24(20)28)25(36)33-7-5-15(6-8-33)10-23(34)35/h3-4,9,11-12,15H,5-8,10,13H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292731 (US10106501, Example B-8) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4C[C@H]5[C@@H](C4)C5C(O)=O)c3Cl)cc12)C(F)(F)F |r| Show InChI InChI=1S/C25H21Cl2F3N2O3/c1-11-5-12(25(28,29)30)6-20-15(11)7-13(31(20)2)8-16-19(26)4-3-14(22(16)27)23(33)32-9-17-18(10-32)21(17)24(34)35/h3-7,17-18,21H,8-10H2,1-2H3,(H,34,35)/t17-,18+,21?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292732 (US10106501, Example B-9) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CC(CC(O)=O)C4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C24H21Cl2F3N2O3/c1-12-5-14(24(27,28)29)7-20-17(12)8-15(30(20)2)9-18-19(25)4-3-16(22(18)26)23(34)31-10-13(11-31)6-21(32)33/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292740 (US10106501, Example B-17) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CC5(CC(CC(O)=O)C5)C4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C27H25Cl2F3N2O3/c1-14-5-16(27(30,31)32)7-22-19(14)8-17(33(22)2)9-20-21(28)4-3-18(24(20)29)25(37)34-12-26(13-34)10-15(11-26)6-23(35)36/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292741 (US10106501, Example B-18) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CC5(CC(C5)C(O)=O)C4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C26H23Cl2F3N2O3/c1-13-5-15(26(29,30)31)6-21-18(13)7-16(32(21)2)8-19-20(27)4-3-17(22(19)28)23(34)33-11-25(12-33)9-14(10-25)24(35)36/h3-7,14H,8-12H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292742 (US10106501, Example B-19) Show SMILES CC(C1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl)C(O)=O Show InChI InChI=1S/C27H27Cl2F3N2O3/c1-14-10-17(27(30,31)32)11-23-20(14)12-18(33(23)3)13-21-22(28)5-4-19(24(21)29)25(35)34-8-6-16(7-9-34)15(2)26(36)37/h4-5,10-12,15-16H,6-9,13H2,1-3H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292743 (US10106501, Example B-20) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(O)C(O)=O)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C26H25Cl2F3N2O4/c1-13-9-15(26(29,30)31)10-21-18(13)11-16(32(21)2)12-19-20(27)4-3-17(22(19)28)24(35)33-7-5-14(6-8-33)23(34)25(36)37/h3-4,9-11,14,23,34H,5-8,12H2,1-2H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292744 (US10106501, Example B-21) Show SMILES CC1CN(CCC1CC(O)=O)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl Show InChI InChI=1S/C27H27Cl2F3N2O3/c1-14-8-17(27(30,31)32)10-23-20(14)11-18(33(23)3)12-21-22(28)5-4-19(25(21)29)26(37)34-7-6-16(9-24(35)36)15(2)13-34/h4-5,8,10-11,15-16H,6-7,9,12-13H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292745 (US10106501, Example B-22) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ncc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C25H24Cl2F3N3O3/c1-13-7-15(25(28,29)30)9-20-17(13)10-16(32(20)2)11-18-22(26)19(12-31-23(18)27)24(36)33-5-3-14(4-6-33)8-21(34)35/h7,9-10,12,14H,3-6,8,11H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292746 (US10106501, Example B-23) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(C)(C)C(O)=O)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C28H29Cl2F3N2O3/c1-15-11-17(28(31,32)33)12-23-20(15)13-18(34(23)4)14-21-22(29)6-5-19(24(21)30)25(36)35-9-7-16(8-10-35)27(2,3)26(37)38/h5-6,11-13,16H,7-10,14H2,1-4H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292747 (US10106501, Example B-24) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CCC(O)=O)CC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C27H27Cl2F3N2O3/c1-15-11-17(27(30,31)32)12-23-20(15)13-18(33(23)2)14-21-22(28)5-4-19(25(21)29)26(37)34-9-7-16(8-10-34)3-6-24(35)36/h4-5,11-13,16H,3,6-10,14H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292748 (US10106501, Example B-25) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N[C@H]4CC[C@H](CC4)C(O)=O)c3Cl)cc12)C(F)(F)F |r,wU:19.18,22.25,(2.08,.88,;1.31,2.21,;2.08,3.55,;1.31,4.88,;-.23,4.88,;-1,3.55,;-2.51,3.23,;-3.84,4,;-2.67,1.69,;-4,.92,;-4,-.62,;-5.33,-1.39,;-6.67,-.62,;-5.33,-2.93,;-4,-3.7,;-2.67,-2.93,;-1.33,-3.7,;-1.33,-5.24,;,-2.93,;1.33,-3.7,;2.67,-2.93,;4,-3.7,;4,-5.24,;2.67,-6.01,;1.33,-5.24,;5.33,-6.01,;6.67,-5.24,;5.33,-7.55,;-2.67,-1.39,;-1.33,-.62,;-1.26,1.07,;-.23,2.21,;2.08,6.21,;3.62,6.21,;1.31,7.55,;2.85,7.55,)| Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-13-9-15(26(29,30)31)10-22-19(13)11-17(33(22)2)12-20-21(27)8-7-18(23(20)28)24(34)32-16-5-3-14(4-6-16)25(35)36/h7-11,14,16H,3-6,12H2,1-2H3,(H,32,34)(H,35,36)/t14-,16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292749 (US10106501, Example B-26) Show SMILES C[C@H]1CN(CC[C@@H]1C(O)=O)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl |r| Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-13-8-15(26(29,30)31)9-22-19(13)10-16(32(22)3)11-20-21(27)5-4-18(23(20)28)24(34)33-7-6-17(25(35)36)14(2)12-33/h4-5,8-10,14,17H,6-7,11-12H2,1-3H3,(H,35,36)/t14-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292750 (US10106501, Example GH) Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)cnc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-11-7-16(21(24,25)26)28-19-13(11)8-12(29(19)2)9-14-15(22)10-27-18(17(14)23)20(31)30-3-5-32-6-4-30/h7-8,10H,3-6,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292755 (US10106501, Example CZ-2) Show SMILES Cc1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C3COC3)c2Cl)nc2c(C)cc(nn12)C(F)(F)F Show InChI InChI=1S/C25H25Cl2F3N4O2/c1-13-9-21(25(28,29)30)32-34-14(2)20(31-23(13)34)10-18-19(26)4-3-17(22(18)27)24(35)33-7-5-15(6-8-33)16-11-36-12-16/h3-4,9,15-16H,5-8,10-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292757 (US10106501, Example D) Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F Show InChI InChI=1S/C23H21Cl2F3N2O2/c1-13-9-14(23(26,27)28)10-20-17(13)11-15(29(20)2)12-18-19(24)4-3-16(21(18)25)22(31)30-5-7-32-8-6-30/h3-4,9-11H,5-8,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM292758 (US10106501, Example D-1) Show SMILES CCn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2c(C)cc(cc12)C(F)(F)F Show InChI InChI=1S/C24H23Cl2F3N2O2/c1-3-31-16(12-18-14(2)10-15(11-21(18)31)24(27,28)29)13-19-20(25)5-4-17(22(19)26)23(32)30-6-8-33-9-7-30/h4-5,10-12H,3,6-9,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...				US Patent US10106501 (2018) BindingDB Entry DOI: 10.7270/Q2G44SBV
					More data for this Ligand-Target Pair

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