Compile Data Set for Download or QSAR

Found 231 hits with Last Name = 'smethurst' and Initial = 'ca'   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401549 (CHEMBL2207081) Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(9-22-6-5-19-21-22)15(7-11)20-25(23,24)12-3-4-13(17)14(18)8-12/h1-8,20H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to human CCR2				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401549 (CHEMBL2207081) Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(9-22-6-5-19-21-22)15(7-11)20-25(23,24)12-3-4-13(17)14(18)8-12/h1-8,20H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401561 (CHEMBL2207082) Show SMILES Clc1ccc(Cn2cnnc2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(7-22-8-19-20-9-22)15(5-11)21-25(23,24)12-3-4-13(17)14(18)6-12/h1-6,8-9,21H,7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401550 (CHEMBL2207084) Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401547 (CHEMBL2207098) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1 Show InChI InChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401555 (CHEMBL2207101) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1 Show InChI InChI=1S/C16H11Cl2F3N4O2S/c17-13-6-10(9-25-5-4-22-24-25)15(8-14(13)18)23-28(26,27)12-3-1-2-11(7-12)16(19,20)21/h1-8,23H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401546 (CHEMBL2207100) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1 Show InChI InChI=1S/C13H9Cl3N4O2S2/c14-9-5-8(7-20-4-3-17-19-20)11(6-10(9)15)18-24(21,22)13-2-1-12(16)23-13/h1-6,18H,7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401553 (CHEMBL2207085) Show SMILES Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H12Cl3N5O2S/c1-23-15(19-21-22-23)6-9-2-3-10(16)7-14(9)20-26(24,25)11-4-5-12(17)13(18)8-11/h2-5,7-8,20H,6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401548 (CHEMBL2207094) Show SMILES Clc1cc(sc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(7-20-4-3-17-19-20)11(5-9)18-24(21,22)12-6-10(15)13(16)23-12/h1-6,18H,7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417689 (CHEMBL1643585) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)C)cc1)C1CCCC1 Show InChI InChI=1S/C27H35N3O3S2/c1-20(2)16-28-17-21-8-10-22(11-9-21)27-29-23(19-34-27)18-30(24-6-4-5-7-24)35(31,32)26-14-12-25(33-3)13-15-26/h8-15,19-20,24,28H,4-7,16-18H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401552 (CHEMBL2207080) Show SMILES Clc1ccc(Cn2nnnc2C2CC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H14Cl3N5O2S/c18-12-4-3-11(9-25-17(10-1-2-10)21-23-24-25)16(7-12)22-28(26,27)13-5-6-14(19)15(20)8-13/h3-8,10,22H,1-2,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401558 (CHEMBL2207097) Show SMILES Fc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl2FN4O2S/c16-13-4-3-12(8-14(13)17)25(23,24)20-15-7-11(18)2-1-10(15)9-22-6-5-19-21-22/h1-8,20H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401554 (CHEMBL2207083) Show SMILES Clc1ccc(Cn2cncn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(7-22-9-19-8-20-22)15(5-11)21-25(23,24)12-3-4-13(17)14(18)6-12/h1-6,8-9,21H,7H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299342 (CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401559 (CHEMBL2207093) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C13H10Cl2N4O2S2/c14-10-2-1-9(8-19-6-5-16-18-19)11(7-10)17-23(20,21)13-4-3-12(15)22-13/h1-7,17H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401556 (CHEMBL2207091) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C16H12ClF3N4O2S/c17-13-5-4-11(10-24-7-6-21-23-24)15(9-13)22-27(25,26)14-3-1-2-12(8-14)16(18,19)20/h1-9,22H,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	58.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	58.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401564 (CHEMBL2207095) Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2csc3ccccc23)c1 Show InChI InChI=1S/C17H13ClN4O2S2/c18-13-6-5-12(10-22-8-7-19-21-22)15(9-13)20-26(23,24)17-11-25-16-4-2-1-3-14(16)17/h1-9,11,20H,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401550 (CHEMBL2207084) Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 1% human serum				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401550 (CHEMBL2207084) Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 0.1% human serum				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401549 (CHEMBL2207081) Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(9-22-6-5-19-21-22)15(7-11)20-25(23,24)12-3-4-13(17)14(18)8-12/h1-8,20H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 0.1% human serum				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401552 (CHEMBL2207080) Show SMILES Clc1ccc(Cn2nnnc2C2CC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H14Cl3N5O2S/c18-12-4-3-11(9-25-17(10-1-2-10)21-23-24-25)16(7-12)22-28(26,27)13-5-6-14(19)15(20)8-13/h3-8,10,22H,1-2,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 1% human serum				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401552 (CHEMBL2207080) Show SMILES Clc1ccc(Cn2nnnc2C2CC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H14Cl3N5O2S/c18-12-4-3-11(9-25-17(10-1-2-10)21-23-24-25)16(7-12)22-28(26,27)13-5-6-14(19)15(20)8-13/h3-8,10,22H,1-2,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 0.1% human serum				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401565 (CHEMBL2207090) Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C15H12ClFN4O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401562 (CHEMBL2207088) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C15H12Cl2N4O2S/c16-12-2-1-3-14(8-12)24(22,23)19-15-9-13(17)5-4-11(15)10-21-7-6-18-20-21/h1-9,19H,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401560 (CHEMBL2207087) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C15H12Cl2N4O2S/c16-12-3-5-14(6-4-12)24(22,23)19-15-9-13(17)2-1-11(15)10-21-8-7-18-20-21/h1-9,19H,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417690 (CHEMBL1643586) Show SMILES CCN(CC)Cc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1 Show InChI InChI=1S/C27H35N3O3S2/c1-4-29(5-2)18-21-10-12-22(13-11-21)27-28-23(20-34-27)19-30(24-8-6-7-9-24)35(31,32)26-16-14-25(33-3)15-17-26/h10-17,20,24H,4-9,18-19H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417691 (CHEMBL1643587) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)(C)C)cc1)C1CCCC1 Show InChI InChI=1S/C28H37N3O3S2/c1-28(2,3)20-29-17-21-9-11-22(12-10-21)27-30-23(19-35-27)18-31(24-7-5-6-8-24)36(32,33)26-15-13-25(34-4)14-16-26/h9-16,19,24,29H,5-8,17-18,20H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417692 (CHEMBL1643588) Show SMILES CCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1 Show InChI InChI=1S/C26H33N3O3S2/c1-3-16-27-17-20-8-10-21(11-9-20)26-28-22(19-33-26)18-29(23-6-4-5-7-23)34(30,31)25-14-12-24(32-2)13-15-25/h8-15,19,23,27H,3-7,16-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417699 (CHEMBL1643595) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(NC(=O)c2cccnc2)n1)C1CCCC1 Show InChI InChI=1S/C22H24N4O4S2/c1-30-19-8-10-20(11-9-19)32(28,29)26(18-6-2-3-7-18)14-17-15-31-22(24-17)25-21(27)16-5-4-12-23-13-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,24,25,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401549 (CHEMBL2207081) Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(9-22-6-5-19-21-22)15(7-11)20-25(23,24)12-3-4-13(17)14(18)8-12/h1-8,20H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 1% human serum				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417716 (CHEMBL1643612) Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCOCC2)S(=O)(=O)c2ccc(OC)cc2)cs1 Show InChI InChI=1S/C27H35N3O4S2/c1-3-4-15-28-18-21-5-7-22(8-6-21)27-29-23(20-35-27)19-30(24-13-16-34-17-14-24)36(31,32)26-11-9-25(33-2)10-12-26/h5-12,20,24,28H,3-4,13-19H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417700 (CHEMBL1643596) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(NC(=O)c2ccncc2)n1)C1CCCC1 Show InChI InChI=1S/C22H24N4O4S2/c1-30-19-6-8-20(9-7-19)32(28,29)26(18-4-2-3-5-18)14-17-15-31-22(24-17)25-21(27)16-10-12-23-13-11-16/h6-13,15,18H,2-5,14H2,1H3,(H,24,25,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50401547 (CHEMBL2207098) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1 Show InChI InChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR4 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417688 (CHEMBL1643584) Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1 Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-9-11-22(12-10-21)27-29-23(20-34-27)19-30(24-7-5-6-8-24)35(31,32)26-15-13-25(33-2)14-16-26/h9-16,20,24,28H,3-8,17-19H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401567 (CHEMBL2207096) Show SMILES Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2cccc3nonc23)c1 Show InChI InChI=1S/C15H11ClN6O3S/c16-11-5-4-10(9-22-7-6-17-21-22)13(8-11)20-26(23,24)14-3-1-2-12-15(14)19-25-18-12/h1-8,20H,9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417714 (CHEMBL1643610) Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2cccc(NC(C)=O)c2)cs1 Show InChI InChI=1S/C28H36N4O3S2/c1-3-4-16-29-18-22-12-14-23(15-13-22)28-31-25(20-36-28)19-32(26-9-5-6-10-26)37(34,35)27-11-7-8-24(17-27)30-21(2)33/h7-8,11-15,17,20,26,29H,3-6,9-10,16,18-19H2,1-2H3,(H,30,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417693 (CHEMBL1643589) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC2CCCCC2)cc1)C1CCCC1 Show InChI InChI=1S/C30H39N3O3S2/c1-36-28-15-17-29(18-16-28)38(34,35)33(27-9-5-6-10-27)21-26-22-37-30(32-26)25-13-11-24(12-14-25)20-31-19-23-7-3-2-4-8-23/h11-18,22-23,27,31H,2-10,19-21H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50299342 (CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401547 (CHEMBL2207098) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1 Show InChI InChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR1 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401546 (CHEMBL2207100) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1 Show InChI InChI=1S/C13H9Cl3N4O2S2/c14-9-5-8(7-20-4-3-17-19-20)11(6-10(9)15)18-24(21,22)13-2-1-12(16)23-13/h1-6,18H,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR1 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417718 (CHEMBL1643598) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(NC(=O)C(C)C)n1)C1CCCC1 Show InChI InChI=1S/C20H27N3O4S2/c1-14(2)19(24)22-20-21-15(13-28-20)12-23(16-6-4-5-7-16)29(25,26)18-10-8-17(27-3)9-11-18/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,21,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50401548 (CHEMBL2207094) Show SMILES Clc1cc(sc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Cn1ccnn1 Show InChI InChI=1S/C13H9Cl3N4O2S2/c14-9-2-1-8(7-20-4-3-17-19-20)11(5-9)18-24(21,22)12-6-10(15)13(16)23-12/h1-6,18H,7H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR4 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417694 (CHEMBL1643590) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCc2ccoc2)cc1)C1CCCC1 Show InChI InChI=1S/C28H31N3O4S2/c1-34-26-10-12-27(13-11-26)37(32,33)31(25-4-2-3-5-25)18-24-20-36-28(30-24)23-8-6-21(7-9-23)16-29-17-22-14-15-35-19-22/h6-15,19-20,25,29H,2-5,16-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417702 (CHEMBL1641623) Show SMILES CCCCNCc1ccc(cc1)-c1cccc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)n1 Show InChI InChI=1S/C29H37N3O3S/c1-3-4-20-30-21-23-12-14-24(15-13-23)29-11-7-8-25(31-29)22-32(26-9-5-6-10-26)36(33,34)28-18-16-27(35-2)17-19-28/h7-8,11-19,26,30H,3-6,9-10,20-22H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50417712 (CHEMBL1643608) Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(F)cc2)cs1 Show InChI InChI=1S/C26H32FN3O2S2/c1-2-3-16-28-17-20-8-10-21(11-9-20)26-29-23(19-33-26)18-30(24-6-4-5-7-24)34(31,32)25-14-12-22(27)13-15-25/h8-15,19,24,28H,2-7,16-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...				Bioorg Med Chem Lett 21: 92-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.061 BindingDB Entry DOI: 10.7270/Q2639R01
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401550 (CHEMBL2207084) Show SMILES Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H12Cl3N5O2S/c1-9-19-21-22-23(9)8-10-2-3-11(16)6-15(10)20-26(24,25)12-4-5-13(17)14(18)7-12/h2-7,20H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR1 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair

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