Compile Data Set for Download or QSAR

Found 2098 hits with Last Name = 'van huis' and Initial = 'c'   

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
Prothrombin (Homo sapiens (Human))	BDBM50080924 (CHEMBL83260 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3Cl)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H40ClN7O4S/c35-26-13-5-4-12-25(26)19-28-33(46)40(15-6-10-23-8-2-1-3-9-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-14-17-47-32)18-24-11-7-16-41(20-24)34(36)37/h1-5,8-9,12-14,17,24,27-28H,6-7,10-11,15-16,18-22H2,(H3,36,37)(H,39,43)/t24?,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080911 (2-((S)-4-Benzyl-2-naphthalen-2-ylmethyl-3,6-dioxo-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(Cc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C36H39N7O4S/c37-36(38)41-15-6-9-26(21-41)18-29(33(46)34-39-14-16-48-34)40-31(44)22-43-30(19-25-12-13-27-10-4-5-11-28(27)17-25)35(47)42(23-32(43)45)20-24-7-2-1-3-8-24/h1-5,7-8,10-14,16-17,26,29-30H,6,9,15,18-23H2,(H3,37,38)(H,40,44)/t26?,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against thrombin was determined				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080920 (CHEMBL313769 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H39Cl2N7O4S/c35-25-11-10-23(16-26(25)36)18-28-33(47)41(13-4-8-22-6-2-1-3-7-22)21-30(45)43(28)20-29(44)40-27(31(46)32-39-12-15-48-32)17-24-9-5-14-42(19-24)34(37)38/h1-3,6-7,10-12,15-16,24,27-28H,4-5,8-9,13-14,17-21H2,(H3,37,38)(H,40,44)/t24?,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50080895 (CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-18-7-11-28(23-44)21-31(35(48)36-41-16-19-50-36)42-33(46)24-45-32(22-27-14-15-29-12-4-5-13-30(29)20-27)37(49)43(25-34(45)47)17-6-10-26-8-2-1-3-9-26/h1-5,8-9,12-16,19-20,28,31-32H,6-7,10-11,17-18,21-25H2,(H3,39,40)(H,42,46)/t28?,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080916 (CHEMBL84084 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3cccc(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H40ClN7O4S/c35-26-12-4-9-24(17-26)19-28-33(46)40(14-5-10-23-7-2-1-3-8-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-13-16-47-32)18-25-11-6-15-41(20-25)34(36)37/h1-4,7-9,12-13,16-17,25,27-28H,5-6,10-11,14-15,18-22H2,(H3,36,37)(H,39,43)/t25?,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080908 (2-[(S)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES [H][C@@]1(C[C@H](NC(=O)CN2[C@@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)CCCN(C1)C(N)=N Show InChI InChI=1S/C34H41N7O4S/c35-34(36)40-17-8-14-26(21-40)19-27(31(44)32-37-15-18-46-32)38-29(42)22-41-28(20-25-11-5-2-6-12-25)33(45)39(23-30(41)43)16-7-13-24-9-3-1-4-10-24/h1-6,9-12,15,18,26-28H,7-8,13-14,16-17,19-23H2,(H3,35,36)(H,38,42)/t26?,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080895 (CHEMBL311198 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-18-7-11-28(23-44)21-31(35(48)36-41-16-19-50-36)42-33(46)24-45-32(22-27-14-15-29-12-4-5-13-30(29)20-27)37(49)43(25-34(45)47)17-6-10-26-8-2-1-3-9-26/h1-5,8-9,12-16,19-20,28,31-32H,6-7,10-11,17-18,21-25H2,(H3,39,40)(H,42,46)/t28?,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080915 (2-((R)-2-Benzyl-4-butyl-3,6-dioxo-piperazin-1-yl)-...) Show SMILES CCCCN1CC(=O)N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)[C@H](Cc2ccccc2)C1=O Show InChI InChI=1S/C29H39N7O4S/c1-2-3-12-34-19-25(38)36(23(28(34)40)16-20-8-5-4-6-9-20)18-24(37)33-22(26(39)27-32-11-14-41-27)15-21-10-7-13-35(17-21)29(30)31/h4-6,8-9,11,14,21-23H,2-3,7,10,12-13,15-19H2,1H3,(H3,30,31)(H,33,37)/t21?,22-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080903 (CHEMBL83549 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc(Cl)cc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H40ClN7O4S/c35-26-12-10-24(11-13-26)19-28-33(46)40(15-4-8-23-6-2-1-3-7-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-14-17-47-32)18-25-9-5-16-41(20-25)34(36)37/h1-3,6-7,10-14,17,25,27-28H,4-5,8-9,15-16,18-22H2,(H3,36,37)(H,39,43)/t25?,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080905 (CHEMBL83681 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES COc1ccc(C[C@@H]2N(CC(=O)N[C@@H](CC3CCCN(C3)C(N)=N)C(=O)c3nccs3)C(=O)CN(CCCc3ccccc3)C2=O)cc1 Show InChI InChI=1S/C35H43N7O5S/c1-47-27-13-11-25(12-14-27)20-29-34(46)40(16-5-9-24-7-3-2-4-8-24)23-31(44)42(29)22-30(43)39-28(32(45)33-38-15-18-48-33)19-26-10-6-17-41(21-26)35(36)37/h2-4,7-8,11-15,18,26,28-29H,5-6,9-10,16-17,19-23H2,1H3,(H3,36,37)(H,39,43)/t26?,28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080913 ((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...) Show SMILES CNC(=O)[C@H](CC1CCCN(C1)C(N)=N)NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O Show InChI InChI=1S/C32H43N7O4/c1-35-30(42)26(18-25-15-9-17-38(20-25)32(33)34)36-28(40)21-39-27(19-24-12-6-3-7-13-24)31(43)37(22-29(39)41)16-8-14-23-10-4-2-5-11-23/h2-7,10-13,25-27H,8-9,14-22H2,1H3,(H3,33,34)(H,35,42)(H,36,40)/t25?,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080930 (2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES [H][C@@]1(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)CCCN(C1)C(N)=N Show InChI InChI=1S/C34H41N7O4S/c35-34(36)40-17-8-14-26(21-40)19-27(31(44)32-37-15-18-46-32)38-29(42)22-41-28(20-25-11-5-2-6-12-25)33(45)39(23-30(41)43)16-7-13-24-9-3-1-4-10-24/h1-6,9-12,15,18,26-28H,7-8,13-14,16-17,19-23H2,(H3,35,36)(H,38,42)/t26?,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080918 (CHEMBL408553 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccc4ccccc4c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-18-7-11-28(23-44)21-31(35(48)36-41-16-19-50-36)42-33(46)24-45-32(22-27-14-15-29-12-4-5-13-30(29)20-27)37(49)43(25-34(45)47)17-6-10-26-8-2-1-3-9-26/h1-5,8-9,12-16,19-20,28,31-32H,6-7,10-11,17-18,21-25H2,(H3,39,40)(H,42,46)/t28?,31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080896 (CHEMBL402843 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES [H][C@@]1(C[C@H](NC(=O)CN2[C@@H](C)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)CCCN(C1)C(N)=N Show InChI InChI=1S/C28H37N7O4S/c1-19-27(39)33(12-5-9-20-7-3-2-4-8-20)18-24(37)35(19)17-23(36)32-22(25(38)26-31-11-14-40-26)15-21-10-6-13-34(16-21)28(29)30/h2-4,7-8,11,14,19,21-22H,5-6,9-10,12-13,15-18H2,1H3,(H3,29,30)(H,32,36)/t19-,21?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080907 (CHEMBL311947 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](CC3CCCCC3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H47N7O4S/c35-34(36)40-17-8-14-26(21-40)19-27(31(44)32-37-15-18-46-32)38-29(42)22-41-28(20-25-11-5-2-6-12-25)33(45)39(23-30(41)43)16-7-13-24-9-3-1-4-10-24/h1,3-4,9-10,15,18,25-28H,2,5-8,11-14,16-17,19-23H2,(H3,35,36)(H,38,42)/t26?,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080917 (CHEMBL83001 | N-[(S)-2-Benzothiazol-2-yl-1-(1-carb...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nc3ccccc3s2)C1 Show InChI InChI=1S/C38H43N7O4S/c39-38(40)44-20-10-16-28(23-44)21-30(35(48)36-42-29-17-7-8-18-32(29)50-36)41-33(46)24-45-31(22-27-13-5-2-6-14-27)37(49)43(25-34(45)47)19-9-15-26-11-3-1-4-12-26/h1-8,11-14,17-18,28,30-31H,9-10,15-16,19-25H2,(H3,39,40)(H,41,46)/t28?,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080904 (2-[(S)-2-Butyl-3,6-dioxo-4-(3-phenyl-propyl)-piper...) Show SMILES CCCC[C@@H]1N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O Show InChI InChI=1S/C31H43N7O4S/c1-2-3-13-25-30(42)36(15-7-11-22-9-5-4-6-10-22)21-27(40)38(25)20-26(39)35-24(28(41)29-34-14-17-43-29)18-23-12-8-16-37(19-23)31(32)33/h4-6,9-10,14,17,23-25H,2-3,7-8,11-13,15-16,18-21H2,1H3,(H3,32,33)(H,35,39)/t23?,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080900 (CHEMBL84461 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](CCc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C35H43N7O4S/c36-35(37)41-19-8-14-27(22-41)21-28(32(45)33-38-17-20-47-33)39-30(43)23-42-29(16-15-26-11-5-2-6-12-26)34(46)40(24-31(42)44)18-7-13-25-9-3-1-4-10-25/h1-6,9-12,17,20,27-29H,7-8,13-16,18-19,21-24H2,(H3,36,37)(H,39,43)/t27?,28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080914 (2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCC2)C1 Show InChI InChI=1S/C35H47N7O4/c36-35(37)41-20-10-16-28(23-41)21-29(33(45)39-17-7-8-18-39)38-31(43)24-42-30(22-27-13-5-2-6-14-27)34(46)40(25-32(42)44)19-9-15-26-11-3-1-4-12-26/h1-6,11-14,28-30H,7-10,15-25H2,(H3,36,37)(H,38,43)/t28?,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080901 (CHEMBL84127 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...) Show SMILES CN1CC(=O)N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)[C@@H](Cc2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C30H35N7O4S/c1-35-18-26(39)37(24(29(35)41)15-19-8-9-21-6-2-3-7-22(21)13-19)17-25(38)34-23(27(40)28-33-10-12-42-28)14-20-5-4-11-36(16-20)30(31)32/h2-3,6-10,12-13,20,23-24H,4-5,11,14-18H2,1H3,(H3,31,32)(H,34,38)/t20?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080906 (CHEMBL316383 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES CC(C)C[C@@H]1N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O Show InChI InChI=1S/C31H43N7O4S/c1-21(2)16-25-30(42)36(13-6-10-22-8-4-3-5-9-22)20-27(40)38(25)19-26(39)35-24(28(41)29-34-12-15-43-29)17-23-11-7-14-37(18-23)31(32)33/h3-5,8-9,12,15,21,23-25H,6-7,10-11,13-14,16-20H2,1-2H3,(H3,32,33)(H,35,39)/t23?,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50240720 ((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-fluorophenyl)-...) Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080898 (2-[(S)-2-sec-Butyl-3,6-dioxo-4-(3-phenyl-propyl)-p...) Show SMILES CCC(C)[C@@H]1N(CC(=O)N[C@@H](CC2CCCN(C2)C(N)=N)C(=O)c2nccs2)C(=O)CN(CCCc2ccccc2)C1=O Show InChI InChI=1S/C31H43N7O4S/c1-3-21(2)27-30(42)36(14-7-11-22-9-5-4-6-10-22)20-26(40)38(27)19-25(39)35-24(28(41)29-34-13-16-43-29)17-23-12-8-15-37(18-23)31(32)33/h4-6,9-10,13,16,21,23-24,27H,3,7-8,11-12,14-15,17-20H2,1-2H3,(H3,32,33)(H,35,39)/t21?,23?,24-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371521 (EZETIMIBE) Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080899 (CHEMBL309931 | N-[(S)-1-(1-Carbamimidoyl-piperidin...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2CC(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C27H35N7O4S/c28-27(29)33-12-5-9-20(15-33)14-21(25(38)26-30-10-13-39-26)31-22(35)16-34-18-23(36)32(17-24(34)37)11-4-8-19-6-2-1-3-7-19/h1-3,6-7,10,13,20-21H,4-5,8-9,11-12,14-18H2,(H3,28,29)(H,31,35)/t20?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against thrombin				Bioorg Med Chem Lett 9: 2497-502 (1999) BindingDB Entry DOI: 10.7270/Q23T9GDD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080912 (2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-pipe...) Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)N2CCCCC2)C1 Show InChI InChI=1S/C36H49N7O4/c37-36(38)42-21-11-17-29(24-42)22-30(34(46)40-18-8-3-9-19-40)39-32(44)25-43-31(23-28-14-6-2-7-15-28)35(47)41(26-33(43)45)20-10-16-27-12-4-1-5-13-27/h1-2,4-7,12-15,29-31H,3,8-11,16-26H2,(H3,37,38)(H,39,44)/t29?,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 2503-8 (1999) BindingDB Entry DOI: 10.7270/Q2028QRW
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371519 (CHEMBL271655) Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N(C)Cc2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C25H22F2N2O5/c1-28(14-15-6-8-16(26)9-7-15)24(31)23-22(20-11-10-19(33-2)13-21(20)30)29(25(32)34-23)18-5-3-4-17(27)12-18/h3-13,22-23,30H,14H2,1-2H3/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371538 (CHEMBL271634) Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-11-12-20(22(29)15-19)23-24(21(28)13-10-16-6-3-2-4-7-16)32-25(30)27(23)18-9-5-8-17(26)14-18/h2-9,11-12,14-15,21,23-24,28-29H,10,13H2,1H3/t21-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371523 (CHEMBL258358) Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N2CCc3ccccc3C2)c(O)c1 Show InChI InChI=1S/C26H23FN2O5/c1-33-20-9-10-21(22(30)14-20)23-24(34-26(32)29(23)19-8-4-7-18(27)13-19)25(31)28-12-11-16-5-2-3-6-17(16)15-28/h2-10,13-14,23-24,30H,11-12,15H2,1H3/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371520 (CHEMBL257848) Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2ccc(F)cc2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-12-13-20(22(29)15-19)23-24(21(28)14-7-16-5-3-2-4-6-16)32-25(30)27(23)18-10-8-17(26)9-11-18/h2-6,8-13,15,21,23-24,28-29H,7,14H2,1H3/t21-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371537 (CHEMBL402421) Show SMILES COc1cccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c1O Show InChI InChI=1S/C25H24FNO5/c1-31-21-12-6-11-19(23(21)29)22-24(20(28)14-13-16-7-3-2-4-8-16)32-25(30)27(22)18-10-5-9-17(26)15-18/h2-12,15,20,22,24,28-29H,13-14H2,1H3/t20-,22-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371542 (CHEMBL439420) Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(OC)cc2O)c2cccc(F)c2)c1 Show InChI InChI=1S/C25H24FNO7/c1-31-17-7-4-8-19(12-17)33-14-22(29)24-23(20-10-9-18(32-2)13-21(20)28)27(25(30)34-24)16-6-3-5-15(26)11-16/h3-13,22-24,28-29H,14H2,1-2H3/t22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371528 (CHEMBL257850) Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO5/c25-16-7-9-17(10-8-16)26-22(19-12-11-18(27)14-21(19)29)23(31-24(26)30)20(28)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,20,22-23,27-29H,6,13H2/t20-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371533 (CHEMBL258061) Show SMILES O[C@@H](CC[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H21F2NO4/c25-17-5-1-15(2-6-17)21(29)13-14-22-23(16-3-11-20(28)12-4-16)27(24(30)31-22)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371517 (CHEMBL256248) Show SMILES COc1cccc(CN(C)C(=O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H23FN2O5/c1-27(15-16-4-3-5-21(14-16)32-2)24(30)23-22(17-6-12-20(29)13-7-17)28(25(31)33-23)19-10-8-18(26)9-11-19/h3-14,22-23,29H,15H2,1-2H3/t22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371524 (CHEMBL271635) Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1cccc(F)c1 Show InChI InChI=1S/C24H22FNO4/c25-18-7-4-8-19(15-18)26-22(17-10-12-20(27)13-11-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371530 (CHEMBL258143) Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccccc1O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-17-11-13-18(14-12-17)26-22(19-8-4-5-9-20(19)27)23(30-24(26)29)21(28)15-10-16-6-2-1-3-7-16/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371527 (CHEMBL271865) Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H20F2N2O4/c1-27(14-15-2-6-17(25)7-3-15)23(30)22-21(16-4-12-20(29)13-5-16)28(24(31)32-22)19-10-8-18(26)9-11-19/h2-13,21-22,29H,14H2,1H3/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371543 (CHEMBL272091) Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C24H22FNO6/c1-30-19-3-2-4-20(13-19)31-14-21(28)23-22(15-5-11-18(27)12-6-15)26(24(29)32-23)17-9-7-16(25)8-10-17/h2-13,21-23,27-28H,14H2,1H3/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371534 (CHEMBL257474) Show SMILES Cc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO4/c1-16-10-12-20(22(29)14-16)23-24(21(28)13-11-17-6-3-2-4-7-17)31-25(30)27(23)19-9-5-8-18(26)15-19/h2-10,12,14-15,21,23-24,28-29H,11,13H2,1H3/t21-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371535 (CHEMBL257095) Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cc(F)ccc1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-7-4-8-18(13-16)27-22(19-14-17(26)10-12-20(19)28)23(31-24(27)30)21(29)11-9-15-5-2-1-3-6-15/h1-8,10,12-14,21-23,28-29H,9,11H2/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371536 (CHEMBL430216) Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(F)cc1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-7-4-8-18(13-16)27-22(19-11-10-17(26)14-21(19)29)23(31-24(27)30)20(28)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,20,22-23,28-29H,9,12H2/t20-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371541 (CHEMBL404200) Show SMILES O[C@H](CNc1ccc(F)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H20F2N2O4/c24-15-3-7-17(8-4-15)26-13-20(29)22-21(14-1-11-19(28)12-2-14)27(23(30)31-22)18-9-5-16(25)6-10-18/h1-12,20-22,26,28-29H,13H2/t20-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371546 (CHEMBL429751) Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)COc2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C24H21F2NO6/c1-31-18-9-10-19(20(28)12-18)22-23(21(29)13-32-17-7-5-14(25)6-8-17)33-24(30)27(22)16-4-2-3-15(26)11-16/h2-12,21-23,28-29H,13H2,1H3/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371529 (CHEMBL271856) Show SMILES O[C@H](COc1ccc(F)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19F2NO5/c24-15-3-7-17(8-4-15)26-21(14-1-9-18(27)10-2-14)22(31-23(26)29)20(28)13-30-19-11-5-16(25)6-12-19/h1-12,20-22,27-28H,13H2/t20-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371526 (CHEMBL270155) Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](OC(=O)N1c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C23H18F2N2O4/c24-16-5-1-14(2-6-16)13-26-22(29)21-20(15-3-11-19(28)12-4-15)27(23(30)31-21)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371516 (CHEMBL442973) Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-18-10-12-19(13-11-18)26-22(17-7-4-8-20(27)15-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371545 (CHEMBL403245) Show SMILES O[C@H](COc1ccc(Cl)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19ClFNO5/c24-15-3-11-19(12-4-15)30-13-20(28)22-21(14-1-9-18(27)10-2-14)26(23(29)31-22)17-7-5-16(25)6-8-17/h1-12,20-22,27-28H,13H2/t20-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371547 (CHEMBL436647) Show SMILES COc1ccc(cc1)[C@@H]1[C@@H](CCCc2ccccc2)OC(=O)N1c1ccc(OC)cc1 Show InChI InChI=1S/C26H27NO4/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)31-26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair
NPC1-like intracellular cholesterol transporter 1 (Rattus norvegicus)	BDBM50371544 (CHEMBL272303) Show SMILES COc1ccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H22FNO6/c1-30-19-10-12-20(13-11-19)31-14-21(28)23-22(15-2-8-18(27)9-3-15)26(24(29)32-23)17-6-4-16(25)5-7-17/h2-13,21-23,27-28H,14H2,1H3/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair

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