Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'nakashima' and Initial = 'h'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50241727 ((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...) Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition				Bioorg Med Chem 16: 8661-9 (2008) Article DOI: 10.1016/j.bmc.2008.07.087 BindingDB Entry DOI: 10.7270/Q2W66KKP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50247140 (CHEMBL470328 | TX-2236 | [5-(1-Oxido-1,2,4-benzotr...) Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r| Show InChI InChI=1S/C29H37N7O4/c1-29(2,3)40-28(38)33-23(18-20-19-35(4)24-14-8-6-12-21(20)24)26(37)30-16-10-5-11-17-31-27-32-22-13-7-9-15-25(22)36(39)34-27/h6-9,12-15,19,23H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,33,38)(H,31,32,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition				Bioorg Med Chem 16: 8661-9 (2008) Article DOI: 10.1016/j.bmc.2008.07.087 BindingDB Entry DOI: 10.7270/Q2W66KKP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50247142 (CHEMBL470329 | TX-2228 | [4-(1-Oxido-1,2,4-benzotr...) Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r| Show InChI InChI=1S/C28H35N7O4/c1-28(2,3)39-27(37)32-22(17-19-18-34(4)23-13-7-5-11-20(19)23)25(36)29-15-9-10-16-30-26-31-21-12-6-8-14-24(21)35(38)33-26/h5-8,11-14,18,22H,9-10,15-17H2,1-4H3,(H,29,36)(H,32,37)(H,30,31,33)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition				Bioorg Med Chem 16: 8661-9 (2008) Article DOI: 10.1016/j.bmc.2008.07.087 BindingDB Entry DOI: 10.7270/Q2W66KKP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50247141 (CHEMBL443424 | TX-2235 | [5-(1,4-Dioxido-1,2,4-ben...) Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r| Show InChI InChI=1S/C29H37N7O5/c1-29(2,3)41-28(38)32-22(18-20-19-34(4)23-13-7-6-12-21(20)23)26(37)30-16-10-5-11-17-31-27-33-36(40)25-15-9-8-14-24(25)35(27)39/h6-9,12-15,19,22H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,31,33)(H,32,38)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition				Bioorg Med Chem 16: 8661-9 (2008) Article DOI: 10.1016/j.bmc.2008.07.087 BindingDB Entry DOI: 10.7270/Q2W66KKP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50247143 (CHEMBL513210 | TX-2234 | [4-(1,4-Dioxido-1,2,4-ben...) Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r| Show InChI InChI=1S/C28H35N7O5/c1-28(2,3)40-27(37)31-21(17-19-18-33(4)22-12-6-5-11-20(19)22)25(36)29-15-9-10-16-30-26-32-35(39)24-14-8-7-13-23(24)34(26)38/h5-8,11-14,18,21H,9-10,15-17H2,1-4H3,(H,29,36)(H,30,32)(H,31,37)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Curated by ChEMBL					Assay Description Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition				Bioorg Med Chem 16: 8661-9 (2008) Article DOI: 10.1016/j.bmc.2008.07.087 BindingDB Entry DOI: 10.7270/Q2W66KKP
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29994 (2-Cyclohexylcarbonylbenzimidazole, 7e) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1 |r,wU:20.23,25.29,wD:20.22,25.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;6.37,4.44,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)| Show InChI InChI=1S/C23H33ClN4O2/c1-4-23(8-6-22(3,30)7-9-23)20(29)21-25-17-14-16(24)19(15-18(17)26-21)28-12-10-27(5-2)11-13-28/h14-15,30H,4-13H2,1-3H3,(H,25,26)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	2.40	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29988 (benzimidazole analogue, 7h | benzimidazole derivat...) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29992 (2-Cyclohexylcarbonylbenzimidazole, 7c) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.28,wD:20.22,24.27,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)| Show InChI InChI=1S/C22H31ClN4O2/c1-4-26-9-11-27(12-10-26)18-14-17-16(13-15(18)23)24-20(25-17)19(28)21(2)5-7-22(3,29)8-6-21/h13-14,29H,4-12H2,1-3H3,(H,24,25)/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	1.30	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293856 (1-(2,2-dimethyl-1,3-dioxan-5-yl)-3-{[1S,3R,6S)-2,1...) Show SMILES OC[C@@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29990 (2-Cyclohexylcarbonylbenzimidazole, 7b) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)| Show InChI InChI=1S/C24H35N5O3/c1-5-28-10-12-29(13-11-28)20-15-19-18(14-16(20)2)26-22(27-19)21(30)24(3)8-6-17(7-9-24)25-23(31)32-4/h14-15,17H,5-13H2,1-4H3,(H,25,31)(H,26,27)/t17-,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	5.30	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293857 (1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...) Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293855 (4-{3-[(2R)-2,3-dihydroxypropyl]-2-oxo-2,3-dihydro-...) Show SMILES OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083230 (1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083230 (1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor like 1 by displacing radioligand [125I]-Tyr14-nociceptin				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29987 (benzimidazole analogue, 7e | benzimidazole derivat...) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)| Show InChI InChI=1S/C22H32ClN5O2S/c1-4-27-9-11-28(12-10-27)19-14-18-17(13-16(19)23)25-20(26-18)31-22(2)7-5-15(6-8-22)24-21(29)30-3/h13-15H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	0.720	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202356 (CHEMBL218806 | cyclo(-D-Tyr-D-MeArg-L-Arg-L-Nal-Gl...) Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(35(48)54)8-4-16-42-36(38)39/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,52)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50159214 (CHEMBL438934) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C81H137N33O18S2/c1-44(102-64(118)51(17-8-34-97-77(87)88)103-63(117)49(84)14-7-33-96-76(85)86)62(116)112-59-42-133-134-43-60(71(125)109-56(75(129)130)21-12-37-100-80(93)94)113-68(122)54(20-11-38-101-81(95)131)105-66(120)53(19-10-36-99-79(91)92)107-70(124)58(41-46-25-29-48(132-2)30-26-46)111-73(127)61-22-13-39-114(61)74(128)55(16-4-6-32-83)108-67(121)50(15-3-5-31-82)104-65(119)52(18-9-35-98-78(89)90)106-69(123)57(110-72(59)126)40-45-23-27-47(115)28-24-45/h23-30,44,49-61,115H,3-22,31-43,82-84H2,1-2H3,(H,102,118)(H,103,117)(H,104,119)(H,105,120)(H,106,123)(H,107,124)(H,108,121)(H,109,125)(H,110,126)(H,111,127)(H,112,116)(H,113,122)(H,129,130)(H4,85,86,96)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H3,95,101,131)/t44-,49-,50+,51-,52-,53+,54-,55-,56-,57+,58-,59+,60-,61+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells				J Med Chem 48: 380-91 (2005) Article DOI: 10.1021/jm049429h BindingDB Entry DOI: 10.7270/Q27S7N98
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202350 (CHEMBL219474 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-Gly-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(18-21-10-13-25(48)14-11-21)31(50)43-20-30(49)44-29(34(53)46-26)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166087 (CHEMBL436097 | N-{3-[(2R,5S,8S,14R)-5-(3-Guanidino...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50159213 (CHEMBL370001 | N-{3-[10-(3-Guanidino-propyl)-4-(4-...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C35H45N11O6/c36-33(37)40-15-3-7-25-29(48)42-26(8-4-16-41-34(38)39)30(49)44-27(19-21-9-12-22-5-1-2-6-23(22)17-21)32(51)46-35(52)45-28(31(50)43-25)18-20-10-13-24(47)14-11-20/h1-2,5-6,9-14,17,25-28,47H,3-4,7-8,15-16,18-19H2,(H,42,48)(H,43,50)(H,44,49)(H4,36,37,40)(H4,38,39,41)(H2,45,46,51,52)/t25-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells				J Med Chem 48: 380-91 (2005) Article DOI: 10.1021/jm049429h BindingDB Entry DOI: 10.7270/Q27S7N98
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083230 (1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]Tyr14-nociceptin binding to human Opioid receptor like 1 (opioid receptor like 1) in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29989 (2-Cyclohexylcarbonylbenzimidazole, 7a) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)| Show InChI InChI=1S/C23H32ClN5O3/c1-4-28-9-11-29(12-10-28)19-14-18-17(13-16(19)24)26-21(27-18)20(30)23(2)7-5-15(6-8-23)25-22(31)32-3/h13-15H,4-12H2,1-3H3,(H,25,31)(H,26,27)/t15-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	7.5	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor like 1 by displacing radioligand [125I]-Tyr14-nociceptin				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083232 (1-(1-Cyclooctylmethyl-piperidin-4-yl)-3-ethyl-1,3-...) Show SMILES CCn1c2ccccc2n(C2CCN(CC3CCCCCCC3)CC2)c1=O Show InChI InChI=1S/C23H35N3O/c1-2-25-21-12-8-9-13-22(21)26(23(25)27)20-14-16-24(17-15-20)18-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-20H,2-7,10-11,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-Tyr14-nociceptin binding to human Opioid receptor like 1 (opioid receptor like 1) in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083231 (1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-Tyr14-nociceptin binding to human Opioid receptor like 1 (opioid receptor like 1) in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50102044 (CHEMBL2373002 | Derivative of T140 peptide) Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1 Show InChI InChI=1S/C89H138N32O19S2/c90-35-5-3-17-57-73(127)114-62(18-4-6-36-91)82(136)121-43-13-24-68(121)80(134)117-65(45-50-27-33-55(123)34-28-50)77(131)113-58(19-8-38-104-85(95)96)72(126)111-60(22-11-42-108-89(102)140)74(128)118-66(78(132)115-63(83(137)138)23-12-40-106-87(99)100)47-141-142-48-67(79(133)116-64(44-49-25-31-54(122)32-26-49)76(130)112-59(71(125)110-57)21-10-41-107-88(101)139)119-81(135)69(53-30-29-51-14-1-2-15-52(51)46-53)120-75(129)61(20-9-39-105-86(97)98)109-70(124)56(92)16-7-37-103-84(93)94/h1-2,14-15,25-34,46,56-69,122-123H,3-13,16-24,35-45,47-48,90-92H2,(H,109,124)(H,110,125)(H,111,126)(H,112,130)(H,113,131)(H,114,127)(H,115,132)(H,116,133)(H,117,134)(H,118,128)(H,119,135)(H,120,129)(H,137,138)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,139)(H3,102,108,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory concentration determined on an HIV infection model mediated by CXCR4				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202346 (CHEMBL219339 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-Gly-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(18-21-10-13-25(48)14-11-21)31(50)43-20-30(49)44-29(34(53)46-26)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27+,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166106 (CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29991 (2-Cyclohexylcarbonylbenzimidazole, 9) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(C)CCC(=O)CC1 Show InChI InChI=1S/C21H27ClN4O2/c1-3-25-8-10-26(11-9-25)18-13-17-16(12-15(18)22)23-20(24-17)19(28)21(2)6-4-14(27)5-7-21/h12-13H,3-11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	38	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166096 (CHEMBL372874 | N-[(2S,5R,11S,14S,16aS)-14-(3-Guani...) Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C36H45N11O6/c37-35(38)41-13-3-6-26-32(51)46-27(16-21-7-10-22-4-1-2-5-23(22)14-21)31(50)42-18-30(49)44-28(15-20-8-11-25(48)12-9-20)34(53)47-19-24(43-36(39)40)17-29(47)33(52)45-26/h1-2,4-5,7-12,14,24,26-29,48H,3,6,13,15-19H2,(H,42,50)(H,44,49)(H,45,52)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t24-,26-,27-,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166079 (CHEMBL192183 | N-[(2R,5R,11S,14S,16aS)-14-(3-Guani...) Show SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C36H45N11O6/c37-35(38)41-13-3-6-26-32(51)46-27(16-21-7-10-22-4-1-2-5-23(22)14-21)31(50)42-18-30(49)44-28(15-20-8-11-25(48)12-9-20)34(53)47-19-24(43-36(39)40)17-29(47)33(52)45-26/h1-2,4-5,7-12,14,24,26-29,48H,3,6,13,15-19H2,(H,42,50)(H,44,49)(H,45,52)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t24-,26+,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50096735 (CHEMBL2372983 | Compound T140) Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1 Show InChI InChI=1S/C89H139N33O18S2/c90-35-5-3-17-57-73(128)115-62(18-4-6-36-91)82(137)122-43-13-24-68(122)80(135)118-65(45-50-27-33-55(124)34-28-50)77(132)114-59(20-9-39-106-86(97)98)72(127)112-60(22-11-42-109-89(103)140)74(129)119-66(78(133)116-63(83(138)139)23-12-41-108-88(101)102)47-141-142-48-67(79(134)117-64(44-49-25-31-54(123)32-26-49)76(131)113-58(71(126)111-57)19-8-38-105-85(95)96)120-81(136)69(53-30-29-51-14-1-2-15-52(51)46-53)121-75(130)61(21-10-40-107-87(99)100)110-70(125)56(92)16-7-37-104-84(93)94/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H,110,125)(H,111,126)(H,112,127)(H,113,131)(H,114,132)(H,115,128)(H,116,133)(H,117,134)(H,118,135)(H,119,129)(H,120,136)(H,121,130)(H,138,139)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)/t56-,57+,58-,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory concentration determined on an HIV infection model mediated by CXCR4				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202345 (CHEMBL373636 | cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Al...) Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28-,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202359 (CHEMBL375990 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Al...) Show SMILES [#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28+,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50102037 (CHEMBL2372993 | Derivative of T140 peptide) Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1 Show InChI InChI=1S/C89H139N33O18S2/c90-35-5-3-17-58-74(129)116-63(18-4-6-36-91)83(138)122-43-13-24-68(122)81(136)118-65(45-50-27-33-55(124)34-28-50)78(133)115-59(20-9-39-106-86(98)99)73(128)113-61(23-12-42-109-89(103)140)75(130)119-66(79(134)110-57(70(93)125)19-8-38-105-85(96)97)47-141-142-48-67(80(135)117-64(44-49-25-31-54(123)32-26-49)77(132)114-60(72(127)112-58)22-11-41-108-88(102)139)120-82(137)69(53-30-29-51-14-1-2-15-52(51)46-53)121-76(131)62(21-10-40-107-87(100)101)111-71(126)56(92)16-7-37-104-84(94)95/h1-2,14-15,25-34,46,56-69,123-124H,3-13,16-24,35-45,47-48,90-92H2,(H2,93,125)(H,110,134)(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,136)(H,119,130)(H,120,137)(H,121,131)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,139)(H3,103,109,140)/t56-,57-,58+,59-,60-,61-,62-,63-,64+,65-,66+,67+,68+,69-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory concentration determined on an HIV infection model mediated by CXCR4				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083231 (1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity in CHO cells stably expressing cloned human Opioid receptor kappa 1 by displacing radioligand [3H]U-69593				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293857 (1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...) Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293855 (4-{3-[(2R)-2,3-dihydroxypropyl]-2-oxo-2,3-dihydro-...) Show SMILES OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166101 (CHEMBL372422 | N-{3-[(2S,5S,11R)-14-(2-Amino-ethyl...) Show SMILES NCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O Show InChI InChI=1S/C34H43N9O6/c35-14-13-26-32(48)41-25(6-3-15-38-34(36)37)31(47)43-27(18-21-7-10-22-4-1-2-5-23(22)16-21)30(46)39-19-29(45)40-28(33(49)42-26)17-20-8-11-24(44)12-9-20/h1-2,4-5,7-12,16,25-28,44H,3,6,13-15,17-19,35H2,(H,39,46)(H,40,45)(H,41,48)(H,42,49)(H,43,47)(H4,36,37,38)/t25-,26?,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166086 (CHEMBL192594 | N-{3-[(2S,5S,11R)-14-(3-Amino-propy...) Show SMILES NCCCC1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O Show InChI InChI=1S/C35H45N9O6/c36-15-3-7-26-32(48)42-27(8-4-16-39-35(37)38)33(49)44-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(47)40-20-30(46)41-29(34(50)43-26)18-21-10-13-25(45)14-11-21/h1-2,5-6,9-14,17,26-29,45H,3-4,7-8,15-16,18-20,36H2,(H,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)(H4,37,38,39)/t26?,27-,28-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50102036 (CHEMBL2372985 | Derivative of T140 peptide) Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1 Show InChI InChI=1S/C89H138N34O19S2/c90-34-4-3-16-57-73(130)117-62(22-11-41-110-89(103)142)82(139)123-42-12-23-67(123)80(137)119-64(44-49-26-32-54(125)33-27-49)77(134)116-58(18-7-37-106-85(97)98)72(129)114-60(21-10-40-109-88(102)141)74(131)120-65(78(135)111-56(69(92)126)17-6-36-105-84(95)96)46-143-144-47-66(79(136)118-63(43-48-24-30-53(124)31-25-48)76(133)115-59(71(128)113-57)20-9-39-108-87(101)140)121-81(138)68(52-29-28-50-13-1-2-14-51(50)45-52)122-75(132)61(19-8-38-107-86(99)100)112-70(127)55(91)15-5-35-104-83(93)94/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,126)(H,111,135)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,136)(H,119,137)(H,120,131)(H,121,138)(H,122,132)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H3,101,108,140)(H3,102,109,141)(H3,103,110,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory concentration determined on an HIV infection model mediated by CXCR4				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083232 (1-(1-Cyclooctylmethyl-piperidin-4-yl)-3-ethyl-1,3-...) Show SMILES CCn1c2ccccc2n(C2CCN(CC3CCCCCCC3)CC2)c1=O Show InChI InChI=1S/C23H35N3O/c1-2-25-21-12-8-9-13-22(21)26(23(25)27)20-14-16-24(17-15-20)18-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-20H,2-7,10-11,14-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonistic activity of the compound measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083231 (1-(1-Cyclooctylmethyl-piperidin-4-yl)-1,3-dihydro-...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 Show InChI InChI=1S/C21H31N3O/c25-21-22-19-10-6-7-11-20(19)24(21)18-12-14-23(15-13-18)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonistic activity of the compound measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202347 (CHEMBL376219 | cyclo(-D-Tyr-D-Arg-L-MeArg-L-Nal-Gl...) Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(35(48)54)20-23-10-13-24-6-2-3-7-25(24)18-23/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50202365 (CHEMBL374421 | cyclo(-D-Tyr-L-MeArg-L-Arg-L-Nal-Gl...) Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)47-28(19-22-11-14-26(49)15-12-22)32(51)44-21-31(50)45-29(20-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(35(48)54)8-4-16-42-36(38)39/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,52)(H,47,53)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50102040 (CHEMBL2372994 | T140) Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1 Show InChI InChI=1S/C89H138N34O19S2/c90-34-4-3-16-56-72(129)116-61(21-10-41-110-89(103)142)81(138)123-42-12-23-67(123)79(136)119-64(44-49-26-32-54(125)33-27-49)76(133)115-58(18-7-37-106-85(96)97)71(128)113-59(20-9-40-109-88(102)141)73(130)120-65(77(134)117-62(82(139)140)22-11-39-108-87(100)101)46-143-144-47-66(78(135)118-63(43-48-24-30-53(124)31-25-48)75(132)114-57(70(127)112-56)17-6-36-105-84(94)95)121-80(137)68(52-29-28-50-13-1-2-14-51(50)45-52)122-74(131)60(19-8-38-107-86(98)99)111-69(126)55(91)15-5-35-104-83(92)93/h1-2,13-14,24-33,45,55-68,124-125H,3-12,15-23,34-44,46-47,90-91H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,134)(H,118,135)(H,119,136)(H,120,130)(H,121,137)(H,122,131)(H,139,140)(H4,92,93,104)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H3,102,109,141)(H3,103,110,142)/t55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory concentration determined on an HIV infection model mediated by CXCR4				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50166093 (CHEMBL193217 | N-{3-[(2S,5S,11R,14S)-14-(2-Guanidi...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C35H45N11O6/c36-34(37)40-14-3-6-25-31(50)46-27(18-21-7-10-22-4-1-2-5-23(22)16-21)30(49)42-19-29(48)43-28(17-20-8-11-24(47)12-9-20)33(52)45-26(32(51)44-25)13-15-41-35(38)39/h1-2,4-5,7-12,16,25-28,47H,3,6,13-15,17-19H2,(H,42,49)(H,43,48)(H,44,51)(H,45,52)(H,46,50)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells				J Med Chem 48: 3280-9 (2005) Article DOI: 10.1021/jm050009h BindingDB Entry DOI: 10.7270/Q24X5790
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50102032 (CHEMBL2373001 | Derivative of T140 peptide) Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c1ccc2ccccc2c1 Show InChI InChI=1S/C89H139N35O18S2/c90-34-4-3-16-57-73(131)118-62(22-11-41-111-89(104)142)82(140)124-42-12-23-67(124)80(138)120-64(44-49-26-32-54(126)33-27-49)77(135)117-59(19-8-38-108-86(99)100)72(130)115-60(21-10-40-110-88(103)141)74(132)121-65(78(136)112-56(69(92)127)17-6-36-106-84(95)96)46-143-144-47-66(79(137)119-63(43-48-24-30-53(125)31-25-48)76(134)116-58(71(129)114-57)18-7-37-107-85(97)98)122-81(139)68(52-29-28-50-13-1-2-14-51(50)45-52)123-75(133)61(20-9-39-109-87(101)102)113-70(128)55(91)15-5-35-105-83(93)94/h1-2,13-14,24-33,45,55-68,125-126H,3-12,15-23,34-44,46-47,90-91H2,(H2,92,127)(H,112,136)(H,113,128)(H,114,129)(H,115,130)(H,116,134)(H,117,135)(H,118,131)(H,119,137)(H,120,138)(H,121,132)(H,122,139)(H,123,133)(H4,93,94,105)(H4,95,96,106)(H4,97,98,107)(H4,99,100,108)(H4,101,102,109)(H3,103,110,141)(H3,104,111,142)/t55-,56-,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67+,68-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibitory concentration determined on an HIV infection model mediated by CXCR4				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29993 (2-Cyclohexylcarbonylbenzimidazole, 7d) Show SMILES CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.27,wD:20.22,24.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;5.96,-1.37,;7.45,-.23,;6.66,1.54,;5.83,2.84,)| Show InChI InChI=1S/C22H31ClN4O2/c1-4-26-9-11-27(12-10-26)18-14-17-16(13-15(18)23)24-20(25-17)19(28)21(2)5-7-22(3,29)8-6-21/h13-14,29H,4-12H2,1-3H3,(H,24,25)/t21-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	37
Banyu Pharmaceutical Co.					Assay Description Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...				Bioorg Med Chem Lett 19: 3096-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.023 BindingDB Entry DOI: 10.7270/Q24J0CFR
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293856 (1-(2,2-dimethyl-1,3-dioxan-5-yl)-3-{[1S,3R,6S)-2,1...) Show SMILES OC[C@@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair

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