Compile Data Set for Download or QSAR

Found 247 hits Enz. Inhib. hit(s) with all data for entry = 11254   

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
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249550 (US10072016, Compound 148 | US10407433, Compound 14...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.169	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249550 (US10072016, Compound 148 | US10407433, Compound 14...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249485 (US10072016, Compound 83 | US10407433, Compound 83 ...) Show SMILES CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C20H19F5N4O2/c1-10(30)29-8-13-15(9-29)26-27-18(13)19(31)28-6-4-11(5-7-28)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-9H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249474 (US10072016, Compound 77 | US10407433, Compound 77 ...) Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.62	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249474 (US10072016, Compound 77 | US10407433, Compound 77 ...) Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.88	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249554 (US10072016, Compound 152 | US10407433, Compound 15...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1Cl Show InChI InChI=1S/C19H15ClFN5O/c20-17-14(2-1-3-15(17)21)13-6-8-25(9-7-13)19(27)18-24-23-16-5-4-12(10-22)11-26(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249522 (US10072016, Compound 120 | US10407433, Compound 12...) Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c(c1F)C(F)(F)F Show InChI InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-5-6-29(10-26)9-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249482 (US10072016, Compound 81 | US10407433, Compound 81 ...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249482 (US10072016, Compound 81 | US10407433, Compound 81 ...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249482 (US10072016, Compound 81 | US10407433, Compound 81 ...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249481 (US10072016, Compound 79 | US10407433, Compound 79 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c1C(F)(F)F Show InChI InChI=1S/C23H26F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-8-9-30(12-14-4-5-14)13-19(17)28-29-21/h1-3,14-15H,4-13H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249464 (US10072016, Compound 63 | US10407433, Compound 63 ...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C21H22F4N4O2/c1-12(30)29-10-7-15-17(11-29)26-27-19(15)20(31)28-8-5-13(6-9-28)14-3-2-4-16(22)18(14)21(23,24)25/h2-4,13H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249564 (US10072016, Compound 162 | US10407433, Compound 16...) Show SMILES FC(F)(F)c1c(Cl)cccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N Show InChI InChI=1S/C20H15ClF3N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.82	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249552 (US10072016, Compound 150 | US10407433, Compound 15...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1Cl Show InChI InChI=1S/C20H22ClFN4O2/c1-12(27)26-10-7-15-17(11-26)23-24-19(15)20(28)25-8-5-13(6-9-25)14-3-2-4-16(22)18(14)21/h2-4,13H,5-11H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249485 (US10072016, Compound 83 | US10407433, Compound 83 ...) Show SMILES CC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C20H19F5N4O2/c1-10(30)29-8-13-15(9-29)26-27-18(13)19(31)28-6-4-11(5-7-28)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-9H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.85	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249544 (US10072016, Compound 142 | US10407433, Compound 14...) Show SMILES Fc1ccc(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-14-2-3-16(20(22,23)24)15(9-14)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.88	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249550 (US10072016, Compound 148 | US10407433, Compound 14...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249543 (US10072016, Compound 141 | US10407433, Compound 14...) Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)ccc3C(F)(F)F)c2C1 Show InChI InChI=1S/C20H22F4N4O3S/c1-32(30,31)28-9-6-17-15(11-28)18(26-25-17)19(29)27-7-4-12(5-8-27)14-10-13(21)2-3-16(14)20(22,23)24/h2-3,10,12H,4-9,11H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249465 (US10072016, Compound 64 | US10407433, Compound 64 ...) Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C20H22F4N4O3S/c1-32(30,31)28-10-7-16-14(11-28)18(26-25-16)19(29)27-8-5-12(6-9-27)13-3-2-4-15(21)17(13)20(22,23)24/h2-4,12H,5-11H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249519 (US10072016, Compound 117 | US10407433, Compound 11...) Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c(c1F)C(F)(F)F Show InChI InChI=1S/C22H23F5N4O2/c23-16-2-1-14(18(19(16)24)22(25,26)27)12-3-6-30(7-4-12)21(32)20-15-5-8-31(13-10-33-11-13)9-17(15)28-29-20/h1-2,12-13H,3-11H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249563 (US10072016, Compound 161 | US10407433, Compound 16...) Show SMILES FC(F)(F)c1ccc(Cl)cc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N Show InChI InChI=1S/C20H15ClF3N5O/c21-14-2-3-16(20(22,23)24)15(9-14)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.74	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249559 (US10072016, Compound 157 | US10407433, Compound 15...) Show SMILES Fc1cccc(c1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(20(22,23)24)17(15)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.84	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249551 (US10072016, Compound 149 | US10407433, Compound 14...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C2COC2)c1Cl Show InChI InChI=1S/C21H24ClFN4O2/c22-19-15(2-1-3-17(19)23)13-4-7-26(8-5-13)21(28)20-16-6-9-27(14-11-29-12-14)10-18(16)24-25-20/h1-3,13-14H,4-12H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.91	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249482 (US10072016, Compound 81 | US10407433, Compound 81 ...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-9-6-14-16(10-30)27-28-19(14)20(32)29-7-4-12(5-8-29)13-2-3-15(22)18(23)17(13)21(24,25)26/h2-3,12H,4-10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249481 (US10072016, Compound 79 | US10407433, Compound 79 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CC4CC4)CCc23)c1C(F)(F)F Show InChI InChI=1S/C23H26F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-8-9-30(12-14-4-5-14)13-19(17)28-29-21/h1-3,14-15H,4-13H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249546 (US10072016, Compound 144 | US10407433, Compound 14...) Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cc(F)ccc3Cl)c2C1 Show InChI InChI=1S/C19H22ClFN4O3S/c1-29(27,28)25-9-6-17-15(11-25)18(23-22-17)19(26)24-7-4-12(5-8-24)14-10-13(21)2-3-16(14)20/h2-3,10,12H,4-9,11H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249533 (US10072016, Compound 131 | US10407433, Compound 13...) Show SMILES CC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cc(F)cc(F)c1C(F)(F)F Show InChI InChI=1S/C21H21F5N4O2/c1-11(31)30-7-4-14-17(10-30)27-28-19(14)20(32)29-5-2-12(3-6-29)15-8-13(22)9-16(23)18(15)21(24,25)26/h8-9,12H,2-7,10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249534 (US10072016, Compound 132 | US10407433, Compound 13...) Show SMILES Fc1cc(F)c(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F Show InChI InChI=1S/C20H14F5N5O/c21-13-7-14(17(15(22)8-13)20(23,24)25)12-3-5-29(6-4-12)19(31)18-28-27-16-2-1-11(9-26)10-30(16)18/h1-2,7-8,10,12H,3-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249513 (US10072016, Compound 111 | US10407433, Compound 11...) Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-14-16(11-29)27-28-19(14)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249476 (US10072016, Compound 75 | US10407433, Compound 75 ...) Show SMILES CCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C21H24F4N4O/c1-2-28-9-8-15-17(12-28)26-27-19(15)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25/h3-5,13H,2,6-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.95	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249496 (US10072016, Compound 94 | US10407433, Compound 94 ...) Show SMILES COCCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C22H25F5N4O2/c1-33-11-10-30-7-6-17-15(12-30)20(29-28-17)21(32)31-8-4-13(5-9-31)14-2-3-16(23)19(24)18(14)22(25,26)27/h2-3,13H,4-12H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.96	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249493 (US10072016, Compound 91 | US10407433, Compound 91 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H21F5N4O3/c1-33-20(32)30-9-6-15-13(10-30)18(28-27-15)19(31)29-7-4-11(5-8-29)12-2-3-14(22)17(23)16(12)21(24,25)26/h2-3,11H,4-10H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.06	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249477 (US10072016, Compound 76 | US10407433, Compound 76 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCC(F)(F)F)CCc23)c1C(F)(F)F Show InChI InChI=1S/C22H23F7N4O/c23-16-3-1-2-14(18(16)22(27,28)29)13-4-9-33(10-5-13)20(34)19-15-6-8-32(11-7-21(24,25)26)12-17(15)30-31-19/h1-3,13H,4-12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249550 (US10072016, Compound 148 | US10407433, Compound 14...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2n[nH]c3CN(CCc23)C#N)c1Cl Show InChI InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249503 (US10072016, Compound 101 | US10407433, Compound 10...) Show SMILES COC(=O)N1Cc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C20H19F5N4O3/c1-32-19(31)29-8-12-14(9-29)26-27-17(12)18(30)28-6-4-10(5-7-28)11-2-3-13(21)16(22)15(11)20(23,24)25/h2-3,10H,4-9H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249467 (US10072016, Compound 66 | US10407433, Compound 66 ...) Show SMILES CNC(=O)N1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C21H23F4N5O2/c1-26-20(32)30-10-7-14-16(11-30)27-28-18(14)19(31)29-8-5-12(6-9-29)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,32)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249547 (US10072016, Compound 145 | US10407433, Compound 14...) Show SMILES Fc1ccc(Cl)c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N Show InChI InChI=1S/C19H15ClFN5O/c20-16-3-2-14(21)9-15(16)13-5-7-25(8-6-13)19(27)18-24-23-17-4-1-12(10-22)11-26(17)18/h1-4,9,11,13H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249497 (US10072016, Compound 95 | US10407433, Compound 95 ...) Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(Cc23)C#N)c(c1F)C(F)(F)F Show InChI InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-9-29(10-26)6-5-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249489 (US10072016, Compound 87 | US10407433, Compound 87 ...) Show SMILES CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)c(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H23F5N4O/c1-2-29-8-7-16-14(11-29)19(28-27-16)20(31)30-9-5-12(6-10-30)13-3-4-15(22)18(23)17(13)21(24,25)26/h3-4,12H,2,5-11H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249474 (US10072016, Compound 77 | US10407433, Compound 77 ...) Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.96	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249495 (US10072016, Compound 93 | US10407433, Compound 93 ...) Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2n[nH]c3CCN(CCC(F)(F)F)Cc23)c(c1F)C(F)(F)F Show InChI InChI=1S/C22H22F8N4O/c23-15-2-1-13(17(18(15)24)22(28,29)30)12-3-8-34(9-4-12)20(35)19-14-11-33(10-6-21(25,26)27)7-5-16(14)31-32-19/h1-2,12H,3-11H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249561 (US10072016, Compound 159 | US10407433, Compound 15...) Show SMILES CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3ccc(F)cc3C(F)(F)F)c2C1 Show InChI InChI=1S/C20H22F4N4O3S/c1-32(30,31)28-9-6-17-15(11-28)18(26-25-17)19(29)27-7-4-12(5-8-27)14-3-2-13(21)10-16(14)20(22,23)24/h2-3,10,12H,4-9,11H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.06	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249468 (US10072016, Compound 67 | US10407433, Compound 67 ...) Show SMILES CCN1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H24F4N4O/c1-2-28-9-8-17-15(12-28)19(27-26-17)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25/h3-5,13H,2,6-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249474 (US10072016, Compound 77 | US10407433, Compound 77 ...) Show SMILES COCCN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1cccc(F)c1C(F)(F)F Show InChI InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249515 (US10072016, Compound 113 | US10407433, Compound 11...) Show SMILES CN1CCc2c(C1)[nH]nc2C(=O)N1CCC(CC1)c1ccc(F)c(F)c1C(F)(F)F Show InChI InChI=1S/C20H21F5N4O/c1-28-7-6-13-15(10-28)26-27-18(13)19(30)29-8-4-11(5-9-29)12-2-3-14(21)17(22)16(12)20(23,24)25/h2-3,11H,4-10H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair

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