Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'veneziano' and Initial = 'm'   

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
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50563230 (CHEMBL4754949) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CSCCSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01533 BindingDB Entry DOI: 10.7270/Q2XW4PHG
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50563231 (CHEMBL4780098) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01533 BindingDB Entry DOI: 10.7270/Q2XW4PHG
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50612449 (CHEMBL5271471) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175036 (CHEMBL3809599) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H11Cl2F3N2OS/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(27-16)17(26)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612447 (CHEMBL5285293) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612445 (CHEMBL5282110) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612449 (CHEMBL5271471) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612450 (CHEMBL5279520) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2[nH]c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 2 (Homo sapiens (Human))	BDBM50612449 (CHEMBL5271471) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612452 (CHEMBL5285418) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cn1ccnn1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50258549 ((S)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(1-(5-(...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C34H38N4O3/c1-4-26(39)12-6-5-7-13-31(34-35-21-32(38-34)25-15-14-23-10-8-9-11-24(23)18-25)37-33(40)20-28-22(2)36-30-17-16-27(41-3)19-29(28)30/h8-11,14-19,21,31,36H,4-7,12-13,20H2,1-3H3,(H,35,38)(H,37,40)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612453 (CHEMBL5285433) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CNC(=O)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 2 (Homo sapiens (Human))	BDBM50608555 (CHEMBL5269165) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50608555 (CHEMBL5269165) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50612445 (CHEMBL5282110) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50608555 (CHEMBL5269165) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50612445 (CHEMBL5282110) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612451 (CHEMBL5273223) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1ccc2ccccc2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612448 (CHEMBL5268361) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1(F)CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612444 (CHEMBL5285266) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(o1)-c1ccc2ccccc2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 3 (Homo sapiens (Human))	BDBM50175039 (CHEMBL3808639) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C17H13Cl2N3O2S/c1-24-15-6-5-10(8-20-15)21-17(23)14-9-25-16(22-14)7-11-12(18)3-2-4-13(11)19/h2-6,8-9H,7H2,1H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 3 (Homo sapiens (Human))	BDBM50612443 (CHEMBL5283156) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ncc([nH]1)-c1ccc(CN(C)C)cc1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 3 (Homo sapiens (Human))	BDBM50612441 (CHEMBL5268555) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(ccc12)C#N)c1ncc([nH]1)-c1ccc(CN(C)C)cc1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612446 (CHEMBL5270878) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 3 (Homo sapiens (Human))	BDBM50612440 (CHEMBL5276254) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ncc([nH]1)-c1ccc(cc1)-n1cccn1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 3 (Homo sapiens (Human))	BDBM50612442 (CHEMBL5271865) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(CN(C)C)cc1 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 6 (Homo sapiens (Human))	BDBM50612449 (CHEMBL5271471) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50612445 (CHEMBL5282110) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(o1)-c1cc2ccccc2nc1OC |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175039 (CHEMBL3808639) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C17H13Cl2N3O2S/c1-24-15-6-5-10(8-20-15)21-17(23)14-9-25-16(22-14)7-11-12(18)3-2-4-13(11)19/h2-6,8-9H,7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175039 (CHEMBL3808639) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C17H13Cl2N3O2S/c1-24-15-6-5-10(8-20-15)21-17(23)14-9-25-16(22-14)7-11-12(18)3-2-4-13(11)19/h2-6,8-9H,7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50510045 (CHEMBL4587871) Show SMILES Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc2CNCc2c1 Show InChI InChI=1S/C19H18FN3/c1-12-19(14-3-6-17(20)7-4-14)13(2)23(22-12)18-8-5-15-10-21-11-16(15)9-18/h3-9,21H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Promidis Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using pro-luciferin substrates in presence of NADPH by firefly luciferase reporter gene based P450-Glo assay				ACS Med Chem Lett 10: 627-632 (2019) Article DOI: 10.1021/acsmedchemlett.8b00591 BindingDB Entry DOI: 10.7270/Q2RB77Z0
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50175066 (CHEMBL3810053) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H27N7O2S/c1-25-22(32)7-4-2-3-6-19(30-24(33)21-15-26-16-34-21)23-27-14-20(29-23)17-8-10-18(11-9-17)31-13-5-12-28-31/h5,8-16,19H,2-4,6-7H2,1H3,(H,25,32)(H,27,29)(H,30,33)/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50175041 (CHEMBL3809034) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H16Cl2N2OS/c1-2-12-6-8-13(9-7-12)22-19(24)17-11-25-18(23-17)10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175038 (CHEMBL3810162) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175064 (CHEMBL3809530) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(ncc2c1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F3N6O2S/c1-29-22(35)6-4-2-3-5-18(34-24(36)20-13-30-14-37-20)23-32-12-19(33-23)16-8-7-15-10-21(25(26,27)28)31-11-17(15)9-16/h7-14,18H,2-6H2,1H3,(H,29,35)(H,32,33)(H,34,36)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175041 (CHEMBL3809034) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H16Cl2N2OS/c1-2-12-6-8-13(9-7-12)22-19(24)17-11-25-18(23-17)10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175041 (CHEMBL3809034) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H16Cl2N2OS/c1-2-12-6-8-13(9-7-12)22-19(24)17-11-25-18(23-17)10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	325	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50175035 (CHEMBL3808866) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI InChI=1S/C18H10ClF6N3OS/c19-12-3-1-2-11(18(23,24)25)14(12)28-16-27-13(8-30-16)15(29)26-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,26,29)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human HDAC3				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175037 (CHEMBL3808986) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H11Cl2N3OS/c19-14-2-1-3-15(20)13(14)8-17-23-16(10-25-17)18(24)22-12-6-4-11(9-21)5-7-12/h1-7,10H,8H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175063 (CHEMBL3808977) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(OC)ncc2c1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-26-22(32)7-5-3-4-6-19(31-25(33)21-14-27-15-35-21)24-29-13-20(30-24)17-9-8-16-11-23(34-2)28-12-18(16)10-17/h8-15,19H,3-7H2,1-2H3,(H,26,32)(H,29,30)(H,31,33)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50510038 (CHEMBL4518161) Show SMILES Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(CN)cc1 Show InChI InChI=1S/C18H18FN3/c1-12-18(15-5-7-16(19)8-6-15)13(2)22(21-12)17-9-3-14(11-20)4-10-17/h3-10H,11,20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Promidis Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using pro-luciferin substrates in presence of NADPH by firefly luciferase reporter gene based P450-Glo assay				ACS Med Chem Lett 10: 627-632 (2019) Article DOI: 10.1021/acsmedchemlett.8b00591 BindingDB Entry DOI: 10.7270/Q2RB77Z0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175060 (CHEMBL3809171) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccncc2c1 |r| Show InChI InChI=1S/C24H26N6O2S/c1-25-22(31)6-4-2-3-5-19(30-24(32)21-14-27-15-33-21)23-28-13-20(29-23)17-8-7-16-9-10-26-12-18(16)11-17/h7-15,19H,2-6H2,1H3,(H,25,31)(H,28,29)(H,30,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50510048 (CHEMBL4442568) Show SMILES Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ncnc2CNCc12 Show InChI InChI=1S/C17H16FN5/c1-10-16(12-3-5-13(18)6-4-12)11(2)23(22-10)17-14-7-19-8-15(14)20-9-21-17/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Promidis Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using pro-luciferin substrates in presence of NADPH by firefly luciferase reporter gene based P450-Glo assay				ACS Med Chem Lett 10: 627-632 (2019) Article DOI: 10.1021/acsmedchemlett.8b00591 BindingDB Entry DOI: 10.7270/Q2RB77Z0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612440 (CHEMBL5276254) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ncc([nH]1)-c1ccc(cc1)-n1cccn1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175044 (CHEMBL3809231) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H14Cl2F3N3O/c1-27-10-16(26-17(27)9-13-14(20)3-2-4-15(13)21)18(28)25-12-7-5-11(6-8-12)19(22,23)24/h2-8,10H,9H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612441 (CHEMBL5268555) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(ccc12)C#N)c1ncc([nH]1)-c1ccc(CN(C)C)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50612443 (CHEMBL5283156) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ncc([nH]1)-c1ccc(CN(C)C)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175040 (CHEMBL3810111) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cn1ccnn1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C19H16F3N3OS/c1-11-4-3-5-12(2)16(11)25-18-24-15(10-27-18)17(26)23-14-8-6-13(7-9-14)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175035 (CHEMBL3808866) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI InChI=1S/C18H10ClF6N3OS/c19-12-3-1-2-11(18(23,24)25)14(12)28-16-27-13(8-30-16)15(29)26-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50175045 (CHEMBL3808864) Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C17H9Cl2F3N2OS/c18-11-2-1-3-12(19)14(11)16-24-13(8-26-16)15(25)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce...				ACS Med Chem Lett 7: 454-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00468 BindingDB Entry DOI: 10.7270/Q2S184FM
					More data for this Ligand-Target Pair

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