Compile Data Set for Download or QSAR

Found 910 hits with Last Name = 'johnston' and Initial = 'k'   

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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50254445 ((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...) Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50254445 ((S)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...) Show SMILES O=C(Cn1c2cccc3NC(=O)Cn(c23)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C26H20N6O4/c33-20(12-31-19-5-1-4-18-22(19)32(25(31)36)13-21(34)29-18)28-16-7-6-14-10-26(11-15(14)9-16)17-3-2-8-27-23(17)30-24(26)35/h1-9H,10-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296785 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1cc2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C27H21N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,13H,10-12,14H2,(H,29,34)(H,30,33)(H,28,31,35)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224426 (CHEMBL238276 | N-{(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CCOC(F)(F)F)C2)c1F Show InChI InChI=1S/C27H29F5N6O4/c28-19-4-1-3-18(22(19)29)16-6-7-20(24(39)37(15-16)13-14-42-27(30,31)32)34-25(40)36-11-8-17(9-12-36)38-21-5-2-10-33-23(21)35-26(38)41/h1-5,10,16-17,20H,6-9,11-15H2,(H,34,40)(H,33,35,41)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255069 ((S)-2-(5,7-dimethyl-2-oxo-3-(2-oxo-2-(2'-oxo-1,1',...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@@]4(Cc3c2)C(=O)Nc2ncccc42)c1=O |r| Show InChI InChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296784 ((S)-2-(6-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-im...) Show SMILES CN1C(=O)Cn2c3c1cccc3n(CC(=O)Nc1ccc3C[C@@]4(Cc3c1)C(=O)Nc1ncccc41)c2=O |r| Show InChI InChI=1S/C27H22N6O4/c1-31-19-5-2-6-20-23(19)33(14-22(31)35)26(37)32(20)13-21(34)29-17-8-7-15-11-27(12-16(15)10-17)18-4-3-9-28-24(18)30-25(27)36/h2-10H,11-14H2,1H3,(H,29,34)(H,28,30,36)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296789 (2-(2a-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,...) Show SMILES CC12CN(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc(NC(=O)C1)c23 |r| Show InChI InChI=1S/C28H25N5O3/c1-27-13-22(34)31-20-5-2-6-21(24(20)27)33(15-27)14-23(35)30-18-8-7-16-11-28(12-17(16)10-18)19-4-3-9-29-25(19)32-26(28)36/h2-10H,11-15H2,1H3,(H,30,35)(H,31,34)(H,29,32,36)/t27?,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224419 (CHEMBL237662 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES COCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C27H32F2N6O4/c1-39-15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296787 (CHEMBL564088 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...) Show SMILES O=C(CN1CC2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C27H23N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,17H,10-14H2,(H,29,34)(H,30,33)(H,28,31,35)/t17?,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296787 (CHEMBL564088 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...) Show SMILES O=C(CN1CC2CC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C27H23N5O3/c33-22-10-17-13-32(21-5-1-4-20(30-22)24(17)21)14-23(34)29-18-7-6-15-11-27(12-16(15)9-18)19-3-2-8-28-25(19)31-26(27)35/h1-9,17H,10-14H2,(H,29,34)(H,30,33)(H,28,31,35)/t17?,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224413 (CHEMBL392634 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CCN3CCOCC3)C2)c1F Show InChI InChI=1S/C30H37F2N7O4/c31-23-4-1-3-22(26(23)32)20-6-7-24(28(40)38(19-20)14-13-36-15-17-43-18-16-36)34-29(41)37-11-8-21(9-12-37)39-25-5-2-10-33-27(25)35-30(39)42/h1-5,10,20-21,24H,6-9,11-19H2,(H,34,41)(H,33,35,42)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224430 (CHEMBL392636 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CS(=O)(=O)CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C27H32F2N6O5S/c1-41(39,40)15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246422 ((R)-2-(2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5NC(=O)Cn(c45)c3=O)cc2C1 |r| Show InChI InChI=1S/C23H20N6O5/c1-27-21(33)26-20(32)23(27)8-12-5-6-14(7-13(12)9-23)24-17(30)10-28-16-4-2-3-15-19(16)29(22(28)34)11-18(31)25-15/h2-7H,8-11H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r| Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1 |r| Show InChI InChI=1S/C24H22N6O5/c1-12-5-16-20-17(6-12)29(23(35)30(20)11-19(32)26-16)10-18(31)25-15-4-3-13-8-24(9-14(13)7-15)21(33)27-22(34)28(24)2/h3-7H,8-11H2,1-2H3,(H,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255036 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1c2ccccc2n(-c2ccncn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C28H21N7O3/c36-24(15-34-21-5-1-2-6-22(21)35(27(34)38)23-9-11-29-16-31-23)32-19-8-7-17-13-28(14-18(17)12-19)20-4-3-10-30-25(20)33-26(28)37/h1-12,16H,13-15H2,(H,32,36)(H,30,33,37)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224422 (CHEMBL415263 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CSCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C27H32F2N6O3S/c1-39-15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224431 (CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224431 (CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255067 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1c2ccccc2n(C2CCSCC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H27N5O3S/c35-25(17-33-23-5-1-2-6-24(23)34(28(33)37)21-9-12-38-13-10-21)31-20-8-7-18-15-29(16-19(18)14-20)22-4-3-11-30-26(22)32-27(29)36/h1-8,11,14,21H,9-10,12-13,15-17H2,(H,31,35)(H,30,32,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224415 (CHEMBL237849 | N-[(3R,6S)-1-(2,2-difluoroethyl)-6-...) Show SMILES FC(F)CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H28F4N6O3/c27-18-4-1-3-17(22(18)30)15-6-7-19(24(37)35(13-15)14-21(28)29)32-25(38)34-11-8-16(9-12-34)36-20-5-2-10-31-23(20)33-26(36)39/h1-5,10,15-16,19,21H,6-9,11-14H2,(H,32,38)(H,31,33,39)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224412 (CHEMBL392635 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(Cc3ccccn3)C2)c1F Show InChI InChI=1S/C30H31F2N7O3/c31-23-7-3-6-22(26(23)32)19-9-10-24(28(40)38(17-19)18-20-5-1-2-13-33-20)35-29(41)37-15-11-21(12-16-37)39-25-8-4-14-34-27(25)36-30(39)42/h1-8,13-14,19,21,24H,9-12,15-18H2,(H,35,41)(H,34,36,42)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296790 (CHEMBL549503 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...) Show SMILES O=C(CN1CC2CCC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C28H25N5O3/c34-23-9-7-17-14-33(22-5-1-4-21(31-23)25(17)22)15-24(35)30-19-8-6-16-12-28(13-18(16)11-19)20-3-2-10-29-26(20)32-27(28)36/h1-6,8,10-11,17H,7,9,12-15H2,(H,30,35)(H,31,34)(H,29,32,36)/t17?,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255037 (CHEMBL463880 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...) Show SMILES O=C(Cn1c2ccccc2n(C2CCOC2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C28H25N5O4/c34-24(15-32-22-5-1-2-6-23(22)33(27(32)36)20-9-11-37-16-20)30-19-8-7-17-13-28(14-18(17)12-19)21-4-3-10-29-25(21)31-26(28)35/h1-8,10,12,20H,9,11,13-16H2,(H,30,34)(H,29,31,35)/t20?,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296786 ((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...) Show SMILES CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23 |r| Show InChI InChI=1S/C28H23N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,14H,11-13,15H2,1H3,(H,30,34)(H,29,31,36)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224417 (CHEMBL392937 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES FCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H29F3N6O3/c27-10-14-34-15-16(18-3-1-4-19(28)22(18)29)6-7-20(24(34)36)31-25(37)33-12-8-17(9-13-33)35-21-5-2-11-30-23(21)32-26(35)38/h1-5,11,16-17,20H,6-10,12-15H2,(H,31,37)(H,30,32,38)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224421 (CHEMBL237663 | N-[(3R,6S)-1-(cyclopropylmethyl)-6-...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC3CC3)C2)c1F Show InChI InChI=1S/C28H32F2N6O3/c29-21-4-1-3-20(24(21)30)18-8-9-22(26(37)35(16-18)15-17-6-7-17)32-27(38)34-13-10-19(11-14-34)36-23-5-2-12-31-25(23)33-28(36)39/h1-5,12,17-19,22H,6-11,13-16H2,(H,32,38)(H,31,33,39)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255068 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(CN1C(=O)C2(CCOCC2)c2ccccc12)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H26N4O4/c34-24(17-33-23-6-2-1-4-21(23)28(27(33)36)9-12-37-13-10-28)31-20-8-7-18-15-29(16-19(18)14-20)22-5-3-11-30-25(22)32-26(29)35/h1-8,11,14H,9-10,12-13,15-17H2,(H,31,34)(H,30,32,35)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246312 ((R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1',3'...) Show SMILES CN(C)C(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224420 (CHEMBL392730 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CS(=O)CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C27H32F2N6O4S/c1-40(39)15-14-34-16-17(19-4-2-5-20(28)23(19)29)7-8-21(25(34)36)31-26(37)33-12-9-18(10-13-33)35-22-6-3-11-30-24(22)32-27(35)38/h2-6,11,17-18,21H,7-10,12-16H2,1H3,(H,31,37)(H,30,32,38)/t17-,21-,40?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246273 ((R)-2-(3-(2-amino-2-oxoethyl)-4,6-dimethyl-2-oxo-2...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(CC(N)=O)c3=O)cc2C1 |r| Show InChI InChI=1S/C25H26N6O5/c1-13-6-14(2)21-18(7-13)30(24(36)31(21)11-19(26)32)12-20(33)27-17-5-4-15-9-25(10-16(15)8-17)22(34)28-23(35)29(25)3/h4-8H,9-12H2,1-3H3,(H2,26,32)(H,27,33)(H,28,34,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246271 ((R)-methyl 2-(5,7-dimethyl-3-(2-(3-methyl-2,5-diox...) Show SMILES COC(=O)Cn1c2c(C)cc(C)cc2n(CC(=O)Nc2ccc3C[C@]4(Cc3c2)N(C)C(=O)NC4=O)c1=O |r| Show InChI InChI=1S/C26H27N5O6/c1-14-7-15(2)22-19(8-14)30(25(36)31(22)13-21(33)37-4)12-20(32)27-18-6-5-16-10-26(11-17(16)9-18)23(34)28-24(35)29(26)3/h5-9H,10-13H2,1-4H3,(H,27,32)(H,28,34,35)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246474 (2-{9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1....) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5N(C)C(=O)CCCn(c45)c3=O)cc2C1 |r| Show InChI InChI=1S/C26H26N6O5/c1-29-18-5-3-6-19-22(18)31(10-4-7-21(29)34)25(37)32(19)14-20(33)27-17-9-8-15-12-26(13-16(15)11-17)23(35)28-24(36)30(26)2/h3,5-6,8-9,11H,4,7,10,12-14H2,1-2H3,(H,27,33)(H,28,35,36)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50296791 (CHEMBL564466 | N-((S)-2'-oxo-1,1',2',3-tetrahydros...) Show SMILES O=C(CN1CC2CCCC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H27N5O3/c35-24-8-1-4-18-15-34(23-7-2-6-22(32-24)26(18)23)16-25(36)31-20-10-9-17-13-29(14-19(17)12-20)21-5-3-11-30-27(21)33-28(29)37/h2-3,5-7,9-12,18H,1,4,8,13-16H2,(H,31,36)(H,32,35)(H,30,33,37)/t18?,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 19: 4740-2 (2009) Article DOI: 10.1016/j.bmcl.2009.06.057 BindingDB Entry DOI: 10.7270/Q2QV3MJH
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50255035 ((S)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3...) Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224432 (CHEMBL237848 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H30F2N6O3/c1-2-32-15-16(18-5-3-6-19(27)22(18)28)8-9-20(24(32)35)30-25(36)33-13-10-17(11-14-33)34-21-7-4-12-29-23(21)31-26(34)37/h3-7,12,16-17,20H,2,8-11,13-15H2,1H3,(H,30,36)(H,29,31,37)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246228 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(C)c3=O)cc2C1 |r| Show InChI InChI=1S/C24H25N5O4/c1-13-7-14(2)20-18(8-13)29(23(33)27(20)3)12-19(30)25-17-6-5-15-10-24(11-16(15)9-17)21(31)26-22(32)28(24)4/h5-9H,10-12H2,1-4H3,(H,25,30)(H,26,31,32)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224411 (CHEMBL237664 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C25H28F2N6O3/c1-31-14-15(17-4-2-5-18(26)21(17)27)7-8-19(23(31)34)29-24(35)32-12-9-16(10-13-32)33-20-6-3-11-28-22(20)30-25(33)36/h2-6,11,15-16,19H,7-10,12-14H2,1H3,(H,29,35)(H,28,30,36)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224424 (CHEMBL237661 | N-[(3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)NC2)c1F Show InChI InChI=1S/C24H26F2N6O3/c25-17-4-1-3-16(20(17)26)14-6-7-18(22(33)28-13-14)29-23(34)31-11-8-15(9-12-31)32-19-5-2-10-27-21(19)30-24(32)35/h1-5,10,14-15,18H,6-9,11-13H2,(H,28,33)(H,29,34)(H,27,30,35)/t14-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50254977 (CHEMBL473445 | N-(2'-oxo-1,1',2',3-tetrahydrospiro...) Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2CC3(Cc2c1)C(=O)Nc1ncccc31 Show InChI InChI=1S/C29H22N6O3/c36-25(17-34-22-7-1-2-8-23(22)35(28(34)38)24-9-3-4-12-30-24)32-20-11-10-18-15-29(16-19(18)14-20)21-6-5-13-31-26(21)33-27(29)37/h1-14H,15-17H2,(H,32,36)(H,31,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1				Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50388329 (CHEMBL2059500) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C54H91N3O60S13/c1-24(2)7-6-8-25(3)30-11-12-31-29-10-9-26-17-28(13-15-53(26,4)32(29)14-16-54(30,31)5)97-19-27-18-57(56-55-27)49-45(114-127(85,86)87)41(110-123(73,74)75)37(33(102-49)20-98-118(58,59)60)106-50-46(115-128(88,89)90)42(111-124(76,77)78)38(34(103-50)21-99-119(61,62)63)107-51-47(116-129(91,92)93)43(112-125(79,80)81)39(35(104-51)22-100-120(64,65)66)108-52-48(117-130(94,95)96)44(113-126(82,83)84)40(109-122(70,71)72)36(105-52)23-101-121(67,68)69/h18,24-26,28-52H,6-17,19-23H2,1-5H3,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/p-13/t25-,26+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224410 (CHEMBL236590 | N-[(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES OCCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C26H30F2N6O4/c27-19-4-1-3-18(22(19)28)16-6-7-20(24(36)33(15-16)13-14-35)30-25(37)32-11-8-17(9-12-32)34-21-5-2-10-29-23(21)31-26(34)38/h1-5,10,16-17,20,35H,6-9,11-15H2,(H,30,37)(H,29,31,38)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246314 ((R)-2-(4,6-dimethyl-2-oxo-3-(pyridin-2-yl)-2,3-dih...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4n(-c4ccccn4)c3=O)cc2C1 |r| Show InChI InChI=1S/C28H26N6O4/c1-16-10-17(2)24-21(11-16)33(27(38)34(24)22-6-4-5-9-29-22)15-23(35)30-20-8-7-18-13-28(14-19(18)12-20)25(36)31-26(37)32(28)3/h4-12H,13-15H2,1-3H3,(H,30,35)(H,31,36,37)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246424 (2-{2,10-dioxo-1,3,9-triazatricyclo[6.5.1.0^{4,14}]...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cccc5NC(=O)CCCn(c45)c3=O)cc2C1 |r| Show InChI InChI=1S/C25H24N6O5/c1-29-23(35)28-22(34)25(29)11-14-7-8-16(10-15(14)12-25)26-20(33)13-31-18-5-2-4-17-21(18)30(24(31)36)9-3-6-19(32)27-17/h2,4-5,7-8,10H,3,6,9,11-13H2,1H3,(H,26,33)(H,27,32)(H,28,34,35)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224418 (CHEMBL438120 | N-{(3R,6S)-6-(2,3-difluorophenyl)-1...) Show SMILES CN(C)CCN1C[C@@H](CC[C@@H](NC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O)c1cccc(F)c1F Show InChI InChI=1S/C28H35F2N7O3/c1-34(2)15-16-36-17-18(20-5-3-6-21(29)24(20)30)8-9-22(26(36)38)32-27(39)35-13-10-19(11-14-35)37-23-7-4-12-31-25(23)33-28(37)40/h3-7,12,18-19,22H,8-11,13-17H2,1-2H3,(H,32,39)(H,31,33,40)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50246084 ((R)-2-(4,6-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]i...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc(C)c4[nH]c3=O)cc2C1 |r| Show InChI InChI=1S/C23H23N5O4/c1-12-6-13(2)19-17(7-12)28(22(32)25-19)11-18(29)24-16-5-4-14-9-23(10-15(14)8-16)20(30)26-21(31)27(23)3/h4-8H,9-11H2,1-3H3,(H,24,29)(H,25,32)(H,26,30,31)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50388343 (CHEMBL2059243) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r| Show InChI InChI=1S/C63H107N3O75S16/c1-28(2)8-6-9-29(3)34-12-13-35-33-11-10-30-20-32(14-16-62(30,4)36(33)15-17-63(34,35)5)116-22-31-21-66(65-64-31)18-7-19-115-57-52(50(136-152(97,98)99)45(134-150(91,92)93)40(122-57)26-120-145(76,77)78)130-60-55(140-156(109,110)111)49(44(133-149(88,89)90)39(125-60)25-119-144(73,74)75)128-58-53(138-154(103,104)105)47(42(131-147(82,83)84)37(123-58)23-117-142(67,68)69)127-59-54(139-155(106,107)108)48(43(132-148(85,86)87)38(124-59)24-118-143(70,71)72)129-61-56(141-157(112,113)114)51(137-153(100,101)102)46(135-151(94,95)96)41(126-61)27-121-146(79,80)81/h21,28-30,32-61H,6-20,22-27H2,1-5H3,(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)/p-16/t29-,30+,32+,33+,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62+,63-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50388341 (CHEMBL2059241) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(40(107-120(76,77)78)36(105-118(70,71)72)32(96-46)20-93-114(58,59)60)102-48-44(110-123(85,86)87)39(35(104-117(67,68)69)31(98-48)19-92-113(55,56)57)100-47-43(109-122(82,83)84)38(34(103-116(64,65)66)30(97-47)18-91-112(52,53)54)101-49-45(111-124(88,89)90)41(108-121(79,80)81)37(106-119(73,74)75)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair
Heparanase (Homo sapiens (Human))	BDBM50388342 (CHEMBL2059242) Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C45H83NO61S13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29(47)46-19-17-20-87-42-38(36(103-116(72,73)74)32(101-114(66,67)68)27(92-42)23-90-110(54,55)56)98-44-40(106-119(81,82)83)35(31(100-113(63,64)65)26(94-44)22-89-109(51,52)53)96-43-39(105-118(78,79)80)34(30(99-112(60,61)62)25(93-43)21-88-108(48,49)50)97-45-41(107-120(84,85)86)37(104-117(75,76)77)33(102-115(69,70)71)28(95-45)24-91-111(57,58)59/h25-28,30-45H,2-24H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)/p-13/t25-,26-,27-,28-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay				J Med Chem 55: 3804-13 (2012) Article DOI: 10.1021/jm201708h BindingDB Entry DOI: 10.7270/Q2G161WN
					More data for this Ligand-Target Pair

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